#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnq s THR 10 N 0.00 4.21 0.22 1.47 -4.23 -1.26 -4.85 115.64 111.21 2pnq s THR 10 Ca 0.00 -0.49 -0.16 0.00 -1.18 0.00 0.00 61.69 59.86 2pnq s THR 10 Cb 0.00 -3.55 0.25 0.00 1.34 0.00 0.00 72.50 70.54 2pnq s THR 10 CO 0.00 -0.38 1.58 -0.65 -0.54 0.00 0.00 174.62 174.63 2pnq h PRO 11 N 0.47 -0.05 0.10 3.99 0.11 -2.05 0.41 132.00 134.98 2pnq h PRO 11 Ca -0.47 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.67 2pnq h PRO 11 Cb 1.25 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 2pnq h PRO 11 CO 0.58 -0.03 -0.30 -1.35 -0.21 0.00 0.00 178.00 176.68 2pnq h PRO 12 N -0.05 -0.49 -0.97 1.05 0.11 -1.99 0.24 132.00 129.90 2pnq h PRO 12 Ca 0.33 0.03 0.11 0.00 0.11 0.00 0.00 66.00 66.59 2pnq h PRO 12 Cb 0.59 0.11 -0.08 0.00 0.11 0.00 0.00 31.00 31.73 2pnq h PRO 12 CO -0.85 -0.33 0.62 0.37 -0.21 0.00 0.00 178.00 177.61 2pnq h GLN 13 N -0.51 0.94 -0.35 1.05 4.15 -1.68 0.34 115.11 119.05 2pnq h GLN 13 Ca 0.04 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.30 2pnq h GLN 13 Cb 0.55 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 2pnq h GLN 13 CO -0.19 0.62 -0.18 0.28 -1.93 0.00 0.00 178.83 177.43 2pnq h VAL 14 N 0.97 1.29 -0.29 2.39 2.07 -0.26 -1.77 116.25 120.64 2pnq h VAL 14 Ca 0.47 -1.30 0.06 0.00 0.82 0.00 0.00 66.70 66.75 2pnq h VAL 14 Cb 0.46 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 2pnq h VAL 14 CO -0.23 0.43 -0.05 0.78 0.02 0.00 0.00 177.57 178.51 2pnq h ASN 15 N 0.52 -0.23 -0.67 0.57 -0.26 0.92 -1.18 115.58 115.25 2pnq h ASN 15 Ca 0.08 0.08 0.06 0.00 -0.56 0.00 0.00 56.30 55.95 2pnq h ASN 15 Cb 0.72 0.16 -0.04 0.00 -1.06 0.00 0.00 38.32 38.10 2pnq h ASN 15 CO 0.05 -0.08 0.44 0.28 -1.06 0.00 0.00 177.43 177.07 2pnq h SER 16 N 0.02 0.62 -0.40 5.81 0.02 -0.84 -1.39 113.55 117.39 2pnq h SER 16 Ca 0.14 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.99 2pnq h SER 16 Cb 0.21 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2pnq h SER 16 CO -0.28 0.41 -0.12 0.40 -1.14 0.00 0.00 176.83 176.10 2pnq h ILE 17 N 0.71 1.28 -0.16 3.27 1.08 -0.35 -2.49 117.51 120.85 2pnq h ILE 17 Ca 0.28 -1.22 0.02 0.00 -0.39 0.00 0.00 64.86 63.54 2pnq h ILE 17 Cb 0.22 1.23 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 2pnq h ILE 17 CO -0.09 0.41 0.04 -0.07 -0.69 0.00 0.00 178.15 177.76 2pnq h LEU 18 N 0.61 0.04 -0.69 1.44 3.38 -0.22 -0.85 115.31 119.02 2pnq h LEU 18 Ca 0.10 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 2pnq h LEU 18 Cb 0.65 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 2pnq h LEU 18 CO 0.04 0.05 0.25 0.50 0.09 0.00 0.00 178.44 179.38 2pnq h LYS 19 N 0.12 1.05 -0.07 1.13 3.64 -1.36 -0.96 116.57 120.11 2pnq h LYS 19 Ca 0.07 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 2pnq h LYS 19 Cb 0.05 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2pnq h LYS 19 CO -0.08 0.88 -0.15 0.00 -2.27 0.00 0.00 179.45 177.84 2pnq h ALA 20 N 1.11 1.62 -0.02 5.00 0.00 -1.00 -2.80 119.26 123.17 2pnq h ALA 20 Ca 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2pnq h ALA 20 Cb 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2pnq h ALA 20 CO -0.01 0.28 -0.17 0.09 0.00 0.00 0.00 179.25 179.44 2pnq n ASN 21 N -4.31 2.37 -4.73 0.00 3.02 -0.36 -4.93 115.26 106.33 2pnq n ASN 21 Ca -0.02 -1.69 -0.42 0.00 -0.03 0.00 0.00 54.58 52.43 2pnq n ASN 21 Cb 0.25 0.19 -0.02 0.00 -0.61 0.00 0.00 39.78 39.59 2pnq n ASN 21 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2pnq n GLU 22 N 0.67 2.66 -4.17 3.52 2.13 -0.39 -4.53 120.64 120.54 2pnq n GLU 22 Ca 0.10 0.95 -0.16 0.00 0.66 0.00 0.00 57.16 58.72 2pnq n GLU 22 Cb 0.47 -2.75 -0.13 0.00 0.27 0.00 0.00 31.44 29.30 2pnq n GLU 22 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2pnq s TYR 23 N 0.51 0.69 -0.11 4.31 5.04 0.21 -5.01 117.35 123.00 2pnq s TYR 23 Ca 0.70 -0.30 -0.10 0.00 -2.44 0.00 0.00 57.07 54.93 2pnq s TYR 23 Cb -0.52 -0.43 0.03 0.00 0.35 0.00 0.00 41.96 41.39 2pnq s TYR 23 CO 0.41 -0.03 0.29 0.45 -1.34 0.00 0.00 175.55 175.33 2pnq s SER 24 N -0.87 -0.30 -0.02 4.32 0.15 -1.26 -1.14 113.70 114.58 2pnq s SER 24 Ca -0.03 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.19 2pnq s SER 24 Cb -0.06 0.58 0.02 0.00 -1.71 0.00 0.00 66.02 64.85 2pnq s SER 24 CO 0.00 -0.11 0.00 0.12 1.20 0.00 0.00 173.24 174.46 2pnq s PHE 25 N 0.11 0.23 -0.06 3.44 2.19 0.31 -5.01 117.98 119.20 2pnq s PHE 25 Ca -0.00 0.02 0.05 0.00 0.33 0.00 0.00 56.93 57.33 2pnq s PHE 25 Cb -0.02 -0.33 -0.02 0.00 -1.31 0.00 0.00 43.02 41.34 2pnq s PHE 25 CO 0.00 -0.10 -0.20 0.15 1.83 0.00 0.00 175.22 176.91 2pnq s LYS 26 N 0.88 2.61 0.22 10.12 -0.14 -1.26 -0.78 119.74 131.38 2pnq s LYS 26 Ca -0.08 -0.80 -0.30 0.00 -1.36 0.00 0.00 55.97 53.43 2pnq s LYS 26 Cb -0.12 -2.29 -0.08 0.00 -1.68 0.00 0.00 37.83 33.65 2pnq s LYS 26 CO -0.02 0.46 1.15 0.14 -0.76 0.00 0.00 175.35 176.33 2pnq s VAL 27 N -0.34 3.58 -0.83 3.17 -7.23 0.23 -4.84 120.40 114.14 2pnq s VAL 27 Ca 0.02 1.41 -0.21 0.00 -1.81 0.00 0.00 61.98 61.39 2pnq s VAL 27 Cb -0.12 -3.90 -0.20 0.00 0.56 0.00 0.00 36.38 32.72 2pnq s VAL 27 CO 0.02 0.27 2.36 -2.65 -0.31 0.00 0.00 175.10 174.79 2pnq n PRO 28 N 2.03 0.41 -1.89 4.82 -0.02 -1.26 -4.82 135.00 134.27 2pnq n PRO 28 Ca 0.02 -0.44 -0.40 0.00 -2.02 0.00 0.00 63.50 60.66 2pnq n PRO 28 Cb 0.45 -2.72 -0.03 0.00 -0.02 0.00 0.00 33.50 31.18 2pnq n PRO 28 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2pnq s GLU 29 N 8.29 2.87 0.03 -0.52 -1.05 -1.26 -4.90 118.70 122.15 2pnq s GLU 29 Ca 1.08 1.24 0.05 0.00 -0.15 0.00 0.00 54.97 57.19 2pnq s GLU 29 Cb -0.43 -4.35 -0.02 0.00 -0.44 0.00 0.00 34.13 28.89 2pnq s GLU 29 CO 0.28 -2.42 -0.15 -0.59 0.95 0.00 0.00 175.26 173.33 2pnq s PHE 30 N 8.70 1.32 0.40 4.83 -0.12 -1.26 -4.99 117.98 126.86 2pnq s PHE 30 Ca 0.81 -0.34 0.16 0.00 -0.05 0.00 0.00 56.93 57.52 2pnq s PHE 30 Cb -0.20 -0.79 0.96 0.00 -0.63 0.00 0.00 43.02 42.36 2pnq s PHE 30 CO 0.28 0.04 1.93 -0.44 -0.05 0.00 0.00 175.22 176.98 2pnq h ASP 31 N 5.04 0.00 -0.88 1.98 3.45 -2.00 -3.37 116.42 120.65 2pnq h ASP 31 Ca -0.38 0.00 -0.62 0.00 0.43 0.00 0.00 57.03 56.45 2pnq h ASP 31 Cb 1.17 0.00 0.08 0.00 -0.56 0.00 0.00 39.33 40.02 2pnq h ASP 31 CO 0.45 0.26 -0.29 0.61 -1.57 0.00 0.00 179.24 178.69 2pnq n GLY 32 N -0.68 -1.11 3.55 2.75 0.00 -1.26 -4.35 105.19 104.10 2pnq n GLY 32 Ca -0.02 0.42 -0.34 0.00 0.00 0.00 0.00 46.02 46.08 2pnq n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pnq s LYS 33 N -0.59 2.46 0.08 1.61 1.02 -1.26 -4.92 119.74 118.15 2pnq s LYS 33 Ca 0.64 0.52 0.03 0.00 0.02 0.00 0.00 55.97 57.18 2pnq s LYS 33 Cb -0.92 -4.60 -0.04 0.00 -0.52 0.00 0.00 37.83 31.75 2pnq s LYS 33 CO 0.50 -3.07 0.06 0.54 -0.92 0.00 0.00 175.35 172.45 2pnq s ASN 34 N 8.88 5.41 0.00 2.83 6.03 -1.26 -5.06 114.94 131.78 2pnq s ASN 34 Ca 0.74 -0.05 0.22 0.00 -1.03 0.00 0.00 52.86 52.74 2pnq s ASN 34 Cb -0.12 -1.42 -0.13 0.00 -3.03 0.00 0.00 41.25 36.56 2pnq s ASN 34 CO 0.16 0.17 0.98 0.55 -2.03 0.00 0.00 177.10 176.93 2pnq n VAL 35 N 0.49 0.00 -1.71 3.54 3.14 -1.26 -5.01 118.33 117.52 2pnq n VAL 35 Ca -0.09 -0.07 -0.57 0.00 -2.96 0.00 0.00 64.34 60.65 2pnq n VAL 35 Cb 0.52 1.04 -0.07 0.00 -1.06 0.00 0.00 33.84 34.26 2pnq n VAL 35 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2pnq n SER 36 N -1.07 2.40 -0.23 6.55 2.88 -1.26 -4.79 113.62 118.10 2pnq n SER 36 Ca 0.06 1.07 0.13 0.00 -1.33 0.00 0.00 58.87 58.80 2pnq n SER 36 Cb 0.37 -1.15 0.66 0.00 -0.75 0.00 0.00 64.21 63.34 2pnq n SER 36 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2pnq n SER 37 N 5.29 0.70 -4.40 -3.46 3.41 -1.26 -4.75 113.62 109.15 2pnq n SER 37 Ca 0.26 -1.33 -0.33 0.00 -0.26 0.00 0.00 58.87 57.20 2pnq n SER 37 Cb 0.14 -0.02 -0.14 0.00 -0.26 0.00 0.00 64.21 63.94 2pnq n SER 37 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2pnq s ILE 38 N -1.97 3.30 0.07 -1.33 1.01 -1.26 -1.15 121.20 119.87 2pnq s ILE 38 Ca 0.39 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 60.45 2pnq s ILE 38 Cb 0.19 -2.42 -0.27 0.00 0.01 0.00 0.00 42.46 39.97 2pnq s ILE 38 CO 0.32 0.50 1.13 -0.07 0.00 0.00 0.00 174.94 176.82 2pnq h LEU 39 N 6.88 0.37 0.00 2.97 3.38 0.44 -3.43 115.31 125.92 2pnq h LEU 39 Ca -0.29 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.27 2pnq h LEU 39 Cb 1.20 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2pnq h LEU 39 CO 0.58 1.32 0.00 0.61 0.09 0.00 0.00 178.44 181.04 2pnq n GLY 40 N 1.52 -0.47 3.13 0.83 0.00 -1.15 -0.60 105.19 108.46 2pnq n GLY 40 Ca -0.08 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.42 2pnq n GLY 40 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pnq s PHE 41 N -1.85 0.18 0.15 1.61 -0.71 0.04 -0.93 117.98 116.47 2pnq s PHE 41 Ca 0.00 -0.48 0.11 0.00 -1.04 0.00 0.00 56.93 55.52 2pnq s PHE 41 Cb 0.00 -0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.65 2pnq s PHE 41 CO 0.00 -0.39 -0.26 -0.51 -1.34 0.00 0.00 175.22 172.72 2pnq s ASP 42 N -2.18 3.31 -0.03 1.98 1.01 -0.30 -0.53 116.67 119.93 2pnq s ASP 42 Ca -0.04 -0.79 -0.19 0.00 0.71 0.00 0.00 52.55 52.24 2pnq s ASP 42 Cb -0.00 -0.23 0.04 0.00 1.01 0.00 0.00 42.92 43.73 2pnq s ASP 42 CO -0.05 0.15 0.42 -0.94 0.21 0.00 0.00 175.17 174.96 2pnq s SER 43 N -2.28 -0.33 0.23 0.27 1.04 -0.29 -0.42 113.70 111.92 2pnq s SER 43 Ca 0.16 0.28 -0.18 0.00 0.48 0.00 0.00 55.95 56.69 2pnq s SER 43 Cb -0.09 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.44 2pnq s SER 43 CO 0.07 -0.49 0.58 0.21 0.98 0.00 0.00 173.24 174.60 2pnq s ASN 44 N -1.26 -0.24 -0.09 7.02 3.84 -0.82 -0.62 114.94 122.78 2pnq s ASN 44 Ca -0.13 -0.59 -0.11 0.00 0.21 0.00 0.00 52.86 52.24 2pnq s ASN 44 Cb -0.04 0.63 0.03 0.00 -0.55 0.00 0.00 41.25 41.32 2pnq s ASN 44 CO 0.06 -1.16 0.30 -0.13 -2.79 0.00 0.00 177.10 173.38 2pnq s ARG 45 N -3.91 0.43 -0.19 0.43 0.52 -1.26 -1.91 118.95 113.05 2pnq s ARG 45 Ca 0.12 0.26 0.01 0.00 -0.52 0.00 0.00 55.73 55.60 2pnq s ARG 45 Cb -0.03 0.20 0.03 0.00 0.52 0.00 0.00 34.95 35.68 2pnq s ARG 45 CO 0.02 -0.08 -0.18 -0.51 0.02 0.00 0.00 175.30 174.57 2pnq s LEU 46 N -0.23 2.35 0.22 2.53 1.43 0.46 -4.71 118.68 120.74 2pnq s LEU 46 Ca -0.04 -0.78 -0.28 0.00 -1.03 0.00 0.00 54.13 52.01 2pnq s LEU 46 Cb -0.03 -1.49 -0.09 0.00 0.03 0.00 0.00 46.19 44.61 2pnq s LEU 46 CO 0.01 -0.03 0.88 -2.84 0.23 0.00 0.00 176.35 174.60 2pnq s PRO 47 N 1.26 4.72 -0.00 1.29 0.02 -1.26 -1.30 135.00 139.73 2pnq s PRO 47 Ca 0.03 1.35 0.01 0.00 0.02 0.00 0.00 61.00 62.41 2pnq s PRO 47 Cb -0.14 -3.22 -0.02 0.00 0.02 0.00 0.00 34.50 31.14 2pnq s PRO 47 CO -0.12 0.51 0.03 0.00 -0.33 0.00 0.00 177.00 177.10 2pnq n ALA 48 N 1.42 2.05 -2.59 -1.55 0.00 -1.26 -4.90 120.51 113.68 2pnq n ALA 48 Ca -0.03 -0.03 -0.26 0.00 0.00 0.00 0.00 53.44 53.11 2pnq n ALA 48 Cb 0.48 -0.05 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 2pnq n ALA 48 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2pnq s ASN 49 N -2.13 4.36 0.00 0.00 -0.87 -1.26 -4.92 114.94 110.12 2pnq s ASN 49 Ca -0.00 -0.55 0.00 0.00 -1.57 0.00 0.00 52.86 50.73 2pnq s ASN 49 Cb 0.01 -0.78 0.00 0.00 -0.02 0.00 0.00 41.25 40.46 2pnq s ASN 49 CO 0.06 0.09 0.00 0.00 -2.57 0.00 0.00 177.10 174.68 2pnq n ALA 50 N -0.06 0.00 -2.39 0.60 0.00 -1.26 -2.93 120.51 114.48 2pnq n ALA 50 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 2pnq n ALA 50 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 2pnq n ALA 50 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2pnq s PRO 51 N 0.00 4.36 0.50 0.00 0.02 -1.26 -4.90 135.00 133.71 2pnq s PRO 51 Ca 0.00 1.77 -0.20 0.00 0.02 0.00 0.00 61.00 62.59 2pnq s PRO 51 Cb 0.00 -3.50 -0.11 0.00 0.02 0.00 0.00 34.50 30.91 2pnq s PRO 51 CO 0.00 -0.43 0.54 1.51 -0.33 0.00 0.00 177.00 178.29 2pnq n ILE 52 N 4.44 1.98 0.59 2.83 3.06 -1.15 -4.82 119.36 126.29 2pnq n ILE 52 Ca 0.11 -0.50 0.10 0.00 -2.50 0.00 0.00 62.75 59.96 2pnq n ILE 52 Cb 0.46 -0.63 -0.13 0.00 0.54 0.00 0.00 39.64 39.87 2pnq n ILE 52 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2pnq n GLU 53 N 0.28 0.49 -2.93 9.51 1.02 -1.26 -4.73 120.64 123.02 2pnq n GLU 53 Ca 0.11 -0.07 -0.39 0.00 -0.02 0.00 0.00 57.16 56.79 2pnq n GLU 53 Cb 0.44 -1.46 -0.06 0.00 -0.02 0.00 0.00 31.44 30.34 2pnq n GLU 53 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2pnq s ASP 54 N -3.44 7.43 0.15 1.62 1.11 -1.26 -0.91 116.67 121.38 2pnq s ASP 54 Ca 0.02 1.70 0.05 0.00 0.18 0.00 0.00 52.55 54.51 2pnq s ASP 54 Cb 0.14 -2.52 -0.04 0.00 1.07 0.00 0.00 42.92 41.57 2pnq s ASP 54 CO 0.83 0.19 -0.12 -0.13 1.18 0.00 0.00 175.17 177.12 2pnq s ARG 55 N -1.22 1.10 -0.01 8.23 3.00 0.15 -4.94 118.95 125.28 2pnq s ARG 55 Ca 0.37 -1.43 0.01 0.00 0.00 0.00 0.00 55.73 54.69 2pnq s ARG 55 Cb -0.23 -0.79 0.01 0.00 0.00 0.00 0.00 34.95 33.94 2pnq s ARG 55 CO 0.27 0.12 -0.03 -0.98 0.00 0.00 0.00 175.30 174.69 2pnq s ARG 56 N -3.47 0.30 0.02 3.54 1.70 -1.26 -0.21 118.95 119.57 2pnq s ARG 56 Ca 0.16 -0.07 -0.06 0.00 -0.47 0.00 0.00 55.73 55.29 2pnq s ARG 56 Cb 0.00 -0.34 -0.01 0.00 -0.57 0.00 0.00 34.95 34.04 2pnq s ARG 56 CO 0.02 0.02 0.10 -1.54 -1.08 0.00 0.00 175.30 172.82 2pnq s SER 57 N 0.23 0.12 -0.10 -2.89 1.04 -0.02 -4.99 113.70 107.08 2pnq s SER 57 Ca -0.02 -0.38 -0.12 0.00 0.48 0.00 0.00 55.95 55.92 2pnq s SER 57 Cb -0.05 0.20 0.03 0.00 0.10 0.00 0.00 66.02 66.30 2pnq s SER 57 CO -0.01 -0.41 0.31 0.00 0.98 0.00 0.00 173.24 174.11 2pnq s ALA 58 N -1.87 -0.78 -0.16 5.32 0.00 -1.26 -0.46 121.76 122.56 2pnq s ALA 58 Ca -0.11 0.80 -0.29 0.00 0.00 0.00 0.00 51.96 52.36 2pnq s ALA 58 Cb -0.05 -0.43 0.10 0.00 0.00 0.00 0.00 23.12 22.73 2pnq s ALA 58 CO -0.01 -0.17 0.84 0.99 0.00 0.00 0.00 175.76 177.41 2pnq s THR 59 N -0.07 0.00 -0.14 0.00 2.01 0.23 -1.46 115.64 116.22 2pnq s THR 59 Ca -0.02 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 61.84 2pnq s THR 59 Cb -0.03 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.44 2pnq s THR 59 CO 0.01 0.00 0.32 -0.89 -0.69 0.00 0.00 174.62 173.37 2pnq s THR 60 N -0.67 5.27 -0.10 -0.82 2.01 -0.83 0.16 115.64 120.66 2pnq s THR 60 Ca -0.04 0.61 -0.30 0.00 0.31 0.00 0.00 61.69 62.28 2pnq s THR 60 Cb -0.02 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 2pnq s THR 60 CO 0.03 0.41 1.36 0.00 -0.69 0.00 0.00 174.62 175.74 2pnq h LEU 62 N 9.38 0.00 0.00 0.00 3.38 -1.51 -3.30 115.31 123.27 2pnq h LEU 62 Ca -0.32 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 2pnq h LEU 62 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2pnq h LEU 62 CO 0.94 0.94 -1.57 0.00 0.09 0.00 0.00 178.44 178.84 2pnq n GLN 63 N -3.38 0.64 -4.35 1.13 3.00 -1.24 -4.91 117.38 108.27 2pnq n GLN 63 Ca 0.00 0.03 -0.29 0.00 -0.01 0.00 0.00 57.00 56.73 2pnq n GLN 63 Cb 0.90 -1.69 -0.12 0.00 0.00 0.00 0.00 30.24 29.33 2pnq n GLN 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2pnq s THR 64 N -3.22 2.62 0.13 5.09 2.01 -1.24 -5.06 115.64 115.98 2pnq s THR 64 Ca -0.05 -1.68 -0.19 0.00 0.31 0.00 0.00 61.69 60.08 2pnq s THR 64 Cb 0.10 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.37 2pnq s THR 64 CO 0.84 0.04 1.74 0.03 -0.69 0.00 0.00 174.62 176.58 2pnq h ARG 65 N 3.61 0.13 -6.29 4.92 2.47 -1.91 -3.37 114.38 113.94 2pnq h ARG 65 Ca -0.49 -0.01 -0.47 0.00 -1.26 0.00 0.00 59.98 57.75 2pnq h ARG 65 Cb 1.18 -0.03 0.25 0.00 -1.65 0.00 0.00 29.97 29.72 2pnq h ARG 65 CO 0.45 0.08 -2.00 0.41 0.56 0.00 0.00 179.97 179.47 2pnq n GLY 66 N -1.18 -2.77 3.09 0.04 0.00 -1.26 -4.55 105.19 98.56 2pnq n GLY 66 Ca -0.02 -0.41 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 2pnq n GLY 66 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2pnq s MET 67 N -2.64 1.26 -0.15 1.61 1.75 0.11 -0.82 119.30 120.41 2pnq s MET 67 Ca 0.45 -0.49 -0.03 0.00 -1.25 0.00 0.00 55.69 54.37 2pnq s MET 67 Cb 0.01 -1.17 -0.03 0.00 2.84 0.00 0.00 34.83 36.49 2pnq s MET 67 CO 0.66 0.25 -0.05 -0.51 -0.65 0.00 0.00 175.02 174.71 2pnq s LEU 68 N -0.14 3.16 -0.01 4.11 1.02 0.42 -1.43 118.68 125.81 2pnq s LEU 68 Ca 0.02 -0.16 0.02 0.00 0.02 0.00 0.00 54.13 54.03 2pnq s LEU 68 Cb -0.07 -1.75 0.00 0.00 0.02 0.00 0.00 46.19 44.38 2pnq s LEU 68 CO 0.00 0.18 -0.05 -0.76 0.02 0.00 0.00 176.35 175.74 2pnq s LEU 69 N 0.32 1.89 0.11 1.79 1.43 -0.77 0.74 118.68 124.20 2pnq s LEU 69 Ca -0.05 -0.10 -0.25 0.00 -1.03 0.00 0.00 54.13 52.71 2pnq s LEU 69 Cb -0.14 -0.29 0.07 0.00 0.03 0.00 0.00 46.19 45.85 2pnq s LEU 69 CO 0.03 0.04 0.63 -0.83 0.23 0.00 0.00 176.35 176.46 2pnq s GLY 70 N 0.05 -0.60 0.08 -3.19 0.00 0.40 -0.29 107.32 103.76 2pnq s GLY 70 Ca -0.00 0.67 0.09 0.00 0.00 0.00 0.00 44.72 45.48 2pnq s GLY 70 CO -0.00 0.32 -0.24 -1.34 0.00 0.00 0.00 173.10 171.84 2pnq s VAL 71 N -3.25 1.94 -0.06 1.40 -7.23 -0.90 -0.84 120.40 111.46 2pnq s VAL 71 Ca -0.01 -1.45 -0.01 0.00 -1.81 0.00 0.00 61.98 58.70 2pnq s VAL 71 Cb -0.01 -1.70 0.03 0.00 0.56 0.00 0.00 36.38 35.26 2pnq s VAL 71 CO -0.09 0.17 0.01 -0.36 -0.31 0.00 0.00 175.10 174.53 2pnq s PHE 72 N -0.93 0.54 -0.49 2.82 0.40 0.71 -1.83 117.98 119.20 2pnq s PHE 72 Ca 0.10 -0.08 -0.18 0.00 -0.60 0.00 0.00 56.93 56.17 2pnq s PHE 72 Cb -0.10 -0.72 0.06 0.00 0.51 0.00 0.00 43.02 42.77 2pnq s PHE 72 CO 0.03 -0.29 0.56 0.34 0.70 0.00 0.00 175.22 176.56 2pnq s ASP 73 N 1.93 6.21 0.48 1.36 -1.08 -1.22 0.34 116.67 124.69 2pnq s ASP 73 Ca 0.04 -0.96 -0.04 0.00 -0.52 0.00 0.00 52.55 51.07 2pnq s ASP 73 Cb -0.12 -2.26 -0.02 0.00 -1.46 0.00 0.00 42.92 39.06 2pnq s ASP 73 CO -0.04 -0.80 0.76 -0.83 0.52 0.00 0.00 175.17 174.77 2pnq s GLY 74 N 2.56 1.51 0.08 2.66 0.00 -0.08 -0.68 107.32 113.37 2pnq s GLY 74 Ca 0.13 -0.71 -0.12 0.00 0.00 0.00 0.00 44.72 44.02 2pnq s GLY 74 CO 0.11 -0.53 0.26 -2.38 0.00 0.00 0.00 173.10 170.57 2pnq s HIS 75 N -2.71 -0.00 -1.86 1.90 -3.43 -0.62 -4.67 115.29 103.90 2pnq s HIS 75 Ca 0.48 -0.31 0.00 0.00 -0.80 0.00 0.00 55.06 54.44 2pnq s HIS 75 Cb -0.10 0.05 0.00 0.00 -1.43 0.00 0.00 32.58 31.10 2pnq s HIS 75 CO 0.42 -0.55 0.00 0.00 -2.00 0.00 0.00 174.74 172.61 2pnq n ALA 76 N 0.16 -0.47 0.00 -1.38 0.00 -1.26 -2.01 120.51 115.54 2pnq n ALA 76 Ca -0.17 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2pnq n ALA 76 Cb 0.61 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 18.00 2pnq n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pnq n GLY 77 N -0.83 1.13 0.00 0.00 0.00 -1.26 -4.68 105.19 99.56 2pnq n GLY 77 Ca -0.22 -2.16 0.08 0.00 0.00 0.00 0.00 46.02 43.72 2pnq n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pnq h ALA 79 N 1.85 -0.49 -0.06 0.00 0.00 -1.90 0.28 119.26 118.94 2pnq h ALA 79 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2pnq h ALA 79 Cb 0.61 1.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 2pnq h ALA 79 CO 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 179.25 178.34 2pnq h SER 81 N -0.17 0.73 -0.06 0.00 4.64 -1.60 0.68 113.55 117.78 2pnq h SER 81 Ca 0.02 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pnq h SER 81 Cb 0.29 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2pnq h SER 81 CO 0.00 0.52 0.02 -0.61 -0.87 0.00 0.00 176.83 175.89 2pnq h GLN 82 N 0.86 0.09 0.54 4.77 5.75 -0.31 -2.17 115.11 124.63 2pnq h GLN 82 Ca 0.25 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.71 2pnq h GLN 82 Cb -0.05 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.48 2pnq h GLN 82 CO -0.06 0.24 -0.37 0.00 -2.65 0.00 0.00 178.83 175.99 2pnq h ALA 83 N 0.84 -0.90 0.00 3.38 0.00 -0.36 -2.24 119.26 119.97 2pnq h ALA 83 Ca 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2pnq h ALA 83 Cb 0.19 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2pnq h ALA 83 CO -0.00 -1.03 -0.06 -0.39 0.00 0.00 0.00 179.25 177.77 2pnq h VAL 84 N -0.88 0.51 -0.87 0.00 -1.51 -0.97 -0.87 116.25 111.67 2pnq h VAL 84 Ca -0.06 -0.29 -0.02 0.00 -1.23 0.00 0.00 66.70 65.10 2pnq h VAL 84 Cb 0.73 1.19 -0.04 0.00 -2.13 0.00 0.00 31.29 31.04 2pnq h VAL 84 CO 0.04 0.06 0.47 0.28 -1.23 0.00 0.00 177.57 177.18 2pnq h SER 85 N 0.00 1.10 -0.02 4.19 0.02 -0.79 -2.07 113.55 115.99 2pnq h SER 85 Ca -0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2pnq h SER 85 Cb 0.19 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.45 2pnq h SER 85 CO 0.01 0.89 -0.29 -1.84 -1.14 0.00 0.00 176.83 174.46 2pnq n GLU 86 N -4.35 1.57 -0.06 3.45 0.28 -0.81 -4.62 120.64 116.11 2pnq n GLU 86 Ca 0.09 -1.05 -0.07 0.00 -0.16 0.00 0.00 57.16 55.97 2pnq n GLU 86 Cb 0.10 -1.34 -0.06 0.00 1.43 0.00 0.00 31.44 31.57 2pnq n GLU 86 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2pnq n ARG 87 N 0.19 0.90 -0.15 3.44 1.74 -0.40 -4.68 116.66 117.70 2pnq n ARG 87 Ca 0.08 0.05 -0.04 0.00 -0.77 0.00 0.00 57.85 57.17 2pnq n ARG 87 Cb 0.40 -1.24 0.05 0.00 -1.02 0.00 0.00 32.46 30.66 2pnq n ARG 87 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2pnq h LEU 88 N 0.00 0.18 -1.51 0.55 5.85 -1.59 -2.05 115.31 116.74 2pnq h LEU 88 Ca -0.26 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.53 2pnq h LEU 88 Cb 1.45 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.49 2pnq h LEU 88 CO -0.03 0.13 0.35 -0.26 -0.34 0.00 0.00 178.44 178.30 2pnq h PHE 89 N 0.35 0.63 -0.55 1.25 0.04 -1.84 -0.34 116.94 116.47 2pnq h PHE 89 Ca 0.22 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.90 2pnq h PHE 89 Cb 0.22 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 2pnq h PHE 89 CO -0.15 0.38 -0.06 1.88 -0.60 0.00 0.00 178.31 179.76 2pnq h TYR 90 N 0.67 1.08 -0.13 -0.55 -1.99 -1.66 0.39 116.97 114.79 2pnq h TYR 90 Ca 0.20 -0.20 -0.10 0.00 2.00 0.00 0.00 58.73 60.63 2pnq h TYR 90 Cb -0.00 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 38.44 2pnq h TYR 90 CO -0.00 0.99 -0.37 1.88 -0.00 0.00 0.00 178.16 180.66 2pnq h TYR 91 N 0.89 0.30 -0.19 4.88 -1.99 -0.96 -0.68 116.97 119.22 2pnq h TYR 91 Ca 0.15 -0.08 -0.13 0.00 2.00 0.00 0.00 58.73 60.68 2pnq h TYR 91 Cb 0.60 -0.07 0.00 0.00 2.00 0.00 0.00 36.73 39.26 2pnq h TYR 91 CO 0.04 0.60 -0.38 0.82 -0.00 0.00 0.00 178.16 179.24 2pnq h ILE 92 N 0.23 1.33 0.72 -2.88 2.04 -0.73 -2.06 117.51 116.16 2pnq h ILE 92 Ca 0.03 -1.62 -0.03 0.00 1.00 0.00 0.00 64.86 64.23 2pnq h ILE 92 Cb 0.76 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 2pnq h ILE 92 CO 0.06 0.50 -0.47 0.00 0.00 0.00 0.00 178.15 178.23 2pnq h ALA 93 N 0.59 -1.24 -0.90 1.87 0.00 0.02 -2.33 119.26 117.27 2pnq h ALA 93 Ca 0.01 -0.23 0.18 0.00 0.00 0.00 0.00 54.91 54.87 2pnq h ALA 93 Cb 0.99 0.61 -0.11 0.00 0.00 0.00 0.00 17.79 19.27 2pnq h ALA 93 CO 0.09 -1.21 0.47 0.28 0.00 0.00 0.00 179.25 178.87 2pnq h VAL 94 N -1.13 0.63 0.00 0.00 2.07 -1.21 0.14 116.25 116.75 2pnq h VAL 94 Ca -0.10 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 2pnq h VAL 94 Cb 0.91 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2pnq h VAL 94 CO 0.08 0.11 -0.06 -1.28 0.02 0.00 0.00 177.57 176.43 2pnq h SER 95 N 0.58 0.00 0.08 0.57 0.87 -1.04 -1.89 113.55 112.71 2pnq h SER 95 Ca 0.53 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.09 2pnq h SER 95 Cb 0.87 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 2pnq h SER 95 CO -0.43 0.06 -0.43 0.18 -0.53 0.00 0.00 176.83 175.69 2pnq n LEU 96 N -3.75 1.62 -4.74 2.23 4.77 0.01 -4.89 117.00 112.25 2pnq n LEU 96 Ca -0.02 -0.57 -0.40 0.00 -0.03 0.00 0.00 56.01 54.99 2pnq n LEU 96 Cb 0.16 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 2pnq n LEU 96 CO 0.29 0.31 0.68 -0.22 -1.33 0.00 0.00 177.39 177.11 2pnq s LEU 97 N -2.52 4.58 0.62 2.23 2.96 -0.71 -5.01 118.68 120.84 2pnq s LEU 97 Ca 0.20 1.95 -0.15 0.00 -0.22 0.00 0.00 54.13 55.91 2pnq s LEU 97 Cb 0.18 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.25 2pnq s LEU 97 CO 0.57 0.03 1.07 -2.84 -1.32 0.00 0.00 176.35 173.86 2pnq s PRO 98 N -0.79 3.13 0.25 0.98 0.02 -1.26 -4.83 135.00 132.50 2pnq s PRO 98 Ca 0.44 1.21 -0.04 0.00 0.02 0.00 0.00 61.00 62.64 2pnq s PRO 98 Cb -0.26 -2.01 0.50 0.00 0.02 0.00 0.00 34.50 32.76 2pnq s PRO 98 CO 0.32 -0.96 1.69 1.25 -0.33 0.00 0.00 177.00 178.97 2pnq h HIS 99 N 0.17 0.35 -0.72 6.54 -0.00 -1.96 -1.80 115.15 117.72 2pnq h HIS 99 Ca -0.46 0.04 0.01 0.00 -0.00 0.00 0.00 60.37 59.96 2pnq h HIS 99 Cb 1.22 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 28.56 2pnq h HIS 99 CO 0.58 -0.07 0.47 0.93 -0.00 0.00 0.00 177.93 179.84 2pnq h GLU 100 N 0.30 0.94 -0.32 5.26 5.08 -1.99 -0.92 114.58 122.93 2pnq h GLU 100 Ca 0.44 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.67 2pnq h GLU 100 Cb 0.76 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2pnq h GLU 100 CO -0.51 0.62 -0.08 1.15 -1.00 0.00 0.00 179.01 179.18 2pnq h THR 101 N 0.96 1.28 -0.79 1.13 2.02 -1.73 -0.09 112.91 115.70 2pnq h THR 101 Ca 0.27 -1.14 0.16 0.00 0.77 0.00 0.00 66.41 66.47 2pnq h THR 101 Cb -0.09 1.36 -0.10 0.00 -1.74 0.00 0.00 68.15 67.58 2pnq h THR 101 CO -0.07 0.37 0.31 -0.07 0.37 0.00 0.00 175.52 176.43 2pnq h LEU 102 N 0.39 0.27 0.27 2.58 3.38 -1.12 0.14 115.31 121.23 2pnq h LEU 102 Ca 0.08 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2pnq h LEU 102 Cb 0.58 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 2pnq h LEU 102 CO 0.03 0.07 -0.18 -0.07 0.09 0.00 0.00 178.44 178.39 2pnq h LEU 103 N 0.42 -0.46 -0.78 1.67 4.07 -0.56 -0.03 115.31 119.64 2pnq h LEU 103 Ca 0.45 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.43 2pnq h LEU 103 Cb 0.72 0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.60 2pnq h LEU 103 CO -0.44 -0.27 0.00 -1.84 -1.08 0.00 0.00 178.44 174.81 2pnq n GLU 104 N -3.38 0.08 0.06 1.13 0.28 -0.10 0.12 120.64 118.82 2pnq n GLU 104 Ca -0.05 0.57 -0.22 0.00 -0.16 0.00 0.00 57.16 57.30 2pnq n GLU 104 Cb 0.18 -1.75 -0.15 0.00 1.43 0.00 0.00 31.44 31.15 2pnq n GLU 104 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 2pnq h ILE 105 N 0.00 0.89 0.01 3.84 2.04 -0.22 -3.05 117.51 121.02 2pnq h ILE 105 Ca 0.00 -2.50 -0.00 0.00 1.00 0.00 0.00 64.86 63.36 2pnq h ILE 105 Cb 0.00 2.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 2pnq h ILE 105 CO 0.00 0.86 -0.00 -0.08 0.00 0.00 0.00 178.15 178.93 2pnq h GLU 106 N 0.10 -0.01 0.00 2.37 4.57 0.85 -2.64 114.58 119.82 2pnq h GLU 106 Ca -0.35 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 2pnq h GLU 106 Cb 2.09 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.68 2pnq h GLU 106 CO 0.16 0.55 0.00 0.09 -1.18 0.00 0.00 179.01 178.63 2pnq n ASN 107 N -4.83 0.00 -0.01 1.04 3.02 0.12 -0.79 115.26 113.82 2pnq n ASN 107 Ca -0.09 -0.47 0.09 0.00 -0.03 0.00 0.00 54.58 54.08 2pnq n ASN 107 Cb 0.28 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.32 2pnq n ASN 107 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pnq n ALA 108 N -0.66 2.85 0.09 5.41 0.00 -1.00 -4.42 120.51 122.77 2pnq n ALA 108 Ca 0.02 -0.42 -0.22 0.00 0.00 0.00 0.00 53.44 52.82 2pnq n ALA 108 Cb 0.01 -0.60 -0.14 0.00 0.00 0.00 0.00 19.45 18.71 2pnq n ALA 108 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2pnq h VAL 109 N 0.00 1.39 0.00 0.00 2.07 -0.91 -3.37 116.25 115.42 2pnq h VAL 109 Ca 0.00 -2.53 -0.18 0.00 0.82 0.00 0.00 66.70 64.81 2pnq h VAL 109 Cb 0.75 3.01 -0.13 0.00 -1.52 0.00 0.00 31.29 33.39 2pnq h VAL 109 CO 0.00 0.74 -0.21 -0.62 0.02 0.00 0.00 177.57 177.50 2pnq n GLU 110 N -3.94 0.95 -3.83 1.57 1.02 -1.23 -5.16 120.64 110.01 2pnq n GLU 110 Ca -0.15 -1.49 -0.16 0.00 -0.02 0.00 0.00 57.16 55.35 2pnq n GLU 110 Cb 0.93 -0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 32.19 2pnq n GLU 110 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 2pnq s LEU 115 N -2.96 1.09 0.31 -4.62 2.34 -1.26 -5.04 118.68 108.54 2pnq s LEU 115 Ca 0.16 0.02 0.10 0.00 0.06 0.00 0.00 54.13 54.47 2pnq s LEU 115 Cb 0.32 -0.13 -0.05 0.00 -0.56 0.00 0.00 46.19 45.77 2pnq s LEU 115 CO -0.07 -0.12 -0.08 -1.48 -1.06 0.00 0.00 176.35 173.54 2pnq s LEU 116 N 1.07 2.86 -0.21 1.48 2.34 -1.26 -5.11 118.68 119.85 2pnq s LEU 116 Ca -0.09 -0.96 -0.29 0.00 0.06 0.00 0.00 54.13 52.85 2pnq s LEU 116 Cb -0.13 -1.29 -0.01 0.00 -0.56 0.00 0.00 46.19 44.19 2pnq s LEU 116 CO -0.03 -0.09 1.28 -2.84 -1.06 0.00 0.00 176.35 173.62 2pnq s PRO 117 N -3.62 4.11 -0.21 1.48 0.02 -1.26 -4.94 135.00 130.57 2pnq s PRO 117 Ca 0.32 1.52 -0.10 0.00 0.02 0.00 0.00 61.00 62.76 2pnq s PRO 117 Cb -0.03 -3.81 -0.09 0.00 0.02 0.00 0.00 34.50 30.59 2pnq s PRO 117 CO 0.18 -0.86 -0.27 -0.89 -0.33 0.00 0.00 177.00 174.82 2pnq n ILE 118 N 5.69 1.17 -4.11 2.83 -0.00 -1.26 -4.45 119.36 119.23 2pnq n ILE 118 Ca 0.14 -0.31 -0.14 0.00 -0.00 0.00 0.00 62.75 62.44 2pnq n ILE 118 Cb 0.45 -1.75 -0.11 0.00 -0.00 0.00 0.00 39.64 38.23 2pnq n ILE 118 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 2pnq s LEU 119 N -7.09 2.29 -0.25 1.39 1.43 -1.26 -1.33 118.68 113.85 2pnq s LEU 119 Ca -0.30 -0.62 0.02 0.00 -1.03 0.00 0.00 54.13 52.21 2pnq s LEU 119 Cb 0.11 -0.27 0.05 0.00 0.03 0.00 0.00 46.19 46.12 2pnq s LEU 119 CO 0.38 -0.19 -0.11 -1.58 0.23 0.00 0.00 176.35 175.08 2pnq s GLN 120 N -1.86 2.35 0.43 1.70 0.74 -0.81 -4.89 119.66 117.32 2pnq s GLN 120 Ca -0.05 -1.28 -0.21 0.00 0.05 0.00 0.00 55.36 53.87 2pnq s GLN 120 Cb -0.08 -2.88 -0.11 0.00 1.10 0.00 0.00 33.01 31.04 2pnq s GLN 120 CO 0.01 -0.53 0.96 -1.58 -0.55 0.00 0.00 175.29 173.59 2pnq s TRP 121 N 1.14 3.30 -0.71 1.67 0.52 -1.26 -1.97 118.94 121.62 2pnq s TRP 121 Ca -0.07 1.62 0.05 0.00 0.02 0.00 0.00 56.10 57.71 2pnq s TRP 121 Cb -0.19 -2.87 0.18 0.00 -1.15 0.00 0.00 33.47 29.43 2pnq s TRP 121 CO -0.06 -0.16 0.53 0.72 0.02 0.00 0.00 176.95 178.00 2pnq n HIS 122 N -0.61 3.34 -4.82 -1.98 8.25 -0.53 -4.96 115.22 113.90 2pnq n HIS 122 Ca 0.07 -4.30 -0.33 0.00 -0.26 0.00 0.00 57.72 52.90 2pnq n HIS 122 Cb 0.54 -0.65 -0.14 0.00 1.12 0.00 0.00 29.99 30.86 2pnq n HIS 122 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2pnq s LYS 123 N -1.55 3.02 0.52 -0.41 2.20 -1.26 -4.24 119.74 118.02 2pnq s LYS 123 Ca 0.26 -0.69 -0.23 0.00 -0.36 0.00 0.00 55.97 54.96 2pnq s LYS 123 Cb -0.03 -2.53 -0.06 0.00 -1.51 0.00 0.00 37.83 33.70 2pnq s LYS 123 CO -0.16 0.39 1.35 -1.58 -0.36 0.00 0.00 175.35 174.99 2pnq s HIS 124 N -0.10 2.38 0.66 4.03 5.65 -1.26 -4.85 115.29 121.80 2pnq s HIS 124 Ca -0.02 1.37 0.36 0.00 0.25 0.00 0.00 55.06 57.02 2pnq s HIS 124 Cb -0.14 -3.78 1.97 0.00 -1.18 0.00 0.00 32.58 29.45 2pnq s HIS 124 CO 0.04 -2.76 2.13 -1.35 -0.65 0.00 0.00 174.74 172.14 2pnq h PRO 125 N 1.71 0.00 -0.09 2.88 0.11 -1.95 -2.21 132.00 132.45 2pnq h PRO 125 Ca -0.51 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.37 2pnq h PRO 125 Cb 1.29 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.41 2pnq h PRO 125 CO 0.58 0.00 -0.88 -0.97 -0.21 0.00 0.00 178.00 176.53 2pnq h ASN 126 N 0.00 0.92 -4.31 -2.05 -0.73 -1.91 -3.45 115.58 104.04 2pnq h ASN 126 Ca 0.01 -0.68 -0.51 0.00 1.87 0.00 0.00 56.30 56.99 2pnq h ASN 126 Cb 0.38 -0.28 0.10 0.00 0.27 0.00 0.00 38.32 38.79 2pnq h ASN 126 CO -0.00 1.46 0.36 -1.81 -0.37 0.00 0.00 177.43 177.07 2pnq s ASP 127 N -7.16 5.29 0.34 1.15 1.01 -0.83 -5.06 116.67 111.41 2pnq s ASP 127 Ca -0.10 1.68 0.04 0.00 0.71 0.00 0.00 52.55 54.88 2pnq s ASP 127 Cb 0.08 -2.50 -0.02 0.00 1.01 0.00 0.00 42.92 41.48 2pnq s ASP 127 CO 0.91 -1.50 0.36 -0.72 0.21 0.00 0.00 175.17 174.43 2pnq s TYR 128 N -2.94 1.51 0.04 4.23 -0.85 -1.26 -4.85 117.35 113.23 2pnq s TYR 128 Ca 0.59 -1.54 0.07 0.00 -0.52 0.00 0.00 57.07 55.68 2pnq s TYR 128 Cb -0.15 -0.47 -0.03 0.00 0.38 0.00 0.00 41.96 41.69 2pnq s TYR 128 CO 0.53 -0.99 -0.20 -0.06 -1.52 0.00 0.00 175.55 173.31 2pnq s PHE 129 N -3.25 2.50 0.39 -3.49 0.08 -1.26 -4.94 117.98 108.01 2pnq s PHE 129 Ca 0.37 -0.29 -0.28 0.00 0.12 0.00 0.00 56.93 56.85 2pnq s PHE 129 Cb 0.01 -1.45 -0.11 0.00 -0.57 0.00 0.00 43.02 40.90 2pnq s PHE 129 CO 0.25 0.21 1.47 0.45 -0.10 0.00 0.00 175.22 177.51 2pnq n SER 130 N 1.66 3.70 0.00 1.36 2.88 -1.26 -4.98 113.62 116.98 2pnq n SER 130 Ca -0.16 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 2pnq n SER 130 Cb 0.52 -1.62 0.00 0.00 -0.75 0.00 0.00 64.21 62.37 2pnq n SER 130 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2pnq n LYS 131 N 0.34 0.00 0.00 -1.46 4.01 -1.26 -4.27 118.16 115.52 2pnq n LYS 131 Ca 0.02 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 57.94 2pnq n LYS 131 Cb 0.39 -0.69 0.70 0.00 -0.51 0.00 0.00 35.03 34.92 2pnq n LYS 131 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2pnq n GLU 132 N -0.48 0.69 0.00 1.97 1.02 -1.26 -3.57 120.64 119.01 2pnq n GLU 132 Ca 0.00 0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.28 2pnq n GLU 132 Cb 0.00 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.12 2pnq n GLU 132 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pnq n ALA 133 N -1.05 2.67 -0.32 0.62 0.00 -1.26 -4.40 120.51 116.77 2pnq n ALA 133 Ca 0.17 -0.61 0.06 0.00 0.00 0.00 0.00 53.44 53.06 2pnq n ALA 133 Cb 0.10 -0.91 0.25 0.00 0.00 0.00 0.00 19.45 18.90 2pnq n ALA 133 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2pnq h SER 134 N 3.64 0.89 0.45 0.00 0.87 -1.75 0.54 113.55 118.20 2pnq h SER 134 Ca 0.00 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 2pnq h SER 134 Cb 0.82 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 2pnq h SER 134 CO 0.00 0.53 -0.22 0.11 -0.53 0.00 0.00 176.83 176.72 2pnq h LYS 135 N 0.98 -0.58 0.11 2.24 1.57 -1.89 -1.62 116.57 117.38 2pnq h LYS 135 Ca 0.43 0.04 0.02 0.00 -1.87 0.00 0.00 60.65 59.27 2pnq h LYS 135 Cb 0.36 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 2pnq h LYS 135 CO -0.19 -0.28 -0.28 1.25 -0.57 0.00 0.00 179.45 179.38 2pnq h LEU 136 N -0.91 -0.82 -1.00 2.94 6.46 -1.67 -1.04 115.31 119.27 2pnq h LEU 136 Ca -0.06 0.10 0.06 0.00 -0.12 0.00 0.00 57.88 57.85 2pnq h LEU 136 Cb 0.58 0.31 -0.07 0.00 -0.73 0.00 0.00 40.66 40.75 2pnq h LEU 136 CO 0.10 -0.37 0.65 1.88 -0.62 0.00 0.00 178.44 180.08 2pnq h TYR 137 N -0.49 1.20 -0.33 1.25 0.05 -0.02 -1.43 116.97 117.20 2pnq h TYR 137 Ca 0.03 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.86 2pnq h TYR 137 Cb 0.53 -0.40 -0.02 0.00 1.01 0.00 0.00 36.73 37.85 2pnq h TYR 137 CO -0.26 0.64 0.18 0.35 -1.05 0.00 0.00 178.16 178.01 2pnq h PHE 138 N 1.19 0.33 -0.30 4.88 3.04 -0.49 -1.09 116.94 124.50 2pnq h PHE 138 Ca 0.42 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.31 2pnq h PHE 138 Cb 0.13 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.53 2pnq h PHE 138 CO -0.00 0.19 -0.16 -0.91 -2.02 0.00 0.00 178.31 175.41 2pnq h ASN 139 N 0.37 0.52 -0.31 0.41 2.35 -0.77 0.70 115.58 118.84 2pnq h ASN 139 Ca 0.13 -0.15 0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2pnq h ASN 139 Cb 0.02 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 2pnq h ASN 139 CO -0.07 0.70 0.15 1.23 -1.65 0.00 0.00 177.43 177.79 2pnq h GLY 140 N 0.96 0.42 0.87 2.83 0.00 -0.76 -1.40 103.07 105.98 2pnq h GLY 140 Ca 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 2pnq h GLY 140 CO 0.04 0.09 -0.07 -2.00 0.00 0.00 0.00 176.54 174.59 2pnq h LEU 141 N 0.32 -0.18 -0.72 3.11 5.85 -0.61 -2.73 115.31 120.36 2pnq h LEU 141 Ca 0.13 -0.11 0.16 0.00 0.84 0.00 0.00 57.88 58.90 2pnq h LEU 141 Cb 0.05 0.05 -0.13 0.00 0.37 0.00 0.00 40.66 40.99 2pnq h LEU 141 CO -0.09 0.00 -0.06 -0.09 -0.34 0.00 0.00 178.44 177.86 2pnq h ARG 142 N -0.35 0.06 -0.39 1.25 2.43 -0.63 0.62 114.38 117.38 2pnq h ARG 142 Ca -0.02 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2pnq h ARG 142 Cb 0.27 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2pnq h ARG 142 CO 0.03 0.04 0.25 1.15 -1.51 0.00 0.00 179.97 179.94 2pnq h THR 143 N 0.07 1.10 0.14 0.20 2.02 -1.15 -0.45 112.91 114.84 2pnq h THR 143 Ca 0.37 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 2pnq h THR 143 Cb 0.63 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2pnq h THR 143 CO -0.67 0.10 -0.07 0.22 0.37 0.00 0.00 175.52 175.47 2pnq h TYR 144 N 0.53 -0.17 0.00 3.16 -0.00 0.51 -2.30 116.97 118.70 2pnq h TYR 144 Ca 0.14 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.83 2pnq h TYR 144 Cb -0.06 0.06 -0.01 0.00 -0.00 0.00 0.00 36.73 36.73 2pnq h TYR 144 CO 0.00 0.16 -0.18 0.11 -0.00 0.00 0.00 178.16 178.24 2pnq h TRP 145 N -0.52 0.00 -0.69 -3.82 0.09 -0.83 -1.13 115.95 109.05 2pnq h TRP 145 Ca -0.02 0.00 -0.08 0.00 0.09 0.00 0.00 58.89 58.89 2pnq h TRP 145 Cb 0.41 0.00 -0.03 0.00 0.08 0.00 0.00 29.16 29.62 2pnq h TRP 145 CO 0.03 0.18 0.14 1.96 0.09 0.00 0.00 178.44 180.84 2pnq h GLN 146 N 0.00 1.12 -0.77 0.12 4.20 -0.97 0.85 115.11 119.65 2pnq h GLN 146 Ca -0.00 -0.28 -0.05 0.00 0.06 0.00 0.00 58.65 58.37 2pnq h GLN 146 Cb 0.39 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 2pnq h GLN 146 CO 0.02 1.00 0.28 0.93 -0.67 0.00 0.00 178.83 180.40 2pnq h GLU 147 N 1.05 1.17 -0.17 1.46 3.07 -0.64 0.82 114.58 121.34 2pnq h GLU 147 Ca 0.21 -0.23 -0.09 0.00 -0.50 0.00 0.00 59.36 58.75 2pnq h GLU 147 Cb 0.41 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 2pnq h GLU 147 CO 0.01 0.97 -0.31 -0.07 -1.40 0.00 0.00 179.01 178.20 2pnq h LEU 148 N 1.14 0.33 -0.85 1.33 4.07 -0.93 -1.67 115.31 118.72 2pnq h LEU 148 Ca 0.25 -0.12 -0.08 0.00 0.08 0.00 0.00 57.88 58.02 2pnq h LEU 148 Cb 0.25 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 2pnq h LEU 148 CO -0.02 0.63 -0.38 0.40 -1.08 0.00 0.00 178.44 178.00 2pnq h ILE 149 N 0.29 0.86 -0.23 1.22 2.04 -0.28 -3.11 117.51 118.29 2pnq h ILE 149 Ca 0.04 -1.57 0.05 0.00 1.00 0.00 0.00 64.86 64.38 2pnq h ILE 149 Cb 0.70 1.97 -0.05 0.00 -0.74 0.00 0.00 36.82 38.70 2pnq h ILE 149 CO 0.05 0.37 -0.08 0.44 0.00 0.00 0.00 178.15 178.93 2pnq h ASP 150 N 0.00 -0.29 0.00 1.72 3.45 0.13 -3.51 116.42 117.92 2pnq h ASP 150 Ca -0.00 0.08 0.00 0.00 0.43 0.00 0.00 57.03 57.54 2pnq h ASP 150 Cb 0.94 0.18 0.00 0.00 -0.56 0.00 0.00 39.33 39.88 2pnq h ASP 150 CO 0.05 -0.11 0.00 0.00 -1.57 0.00 0.00 179.24 177.61 2pnq n LEU 151 N -5.25 0.00 0.00 1.55 -0.00 -1.17 -5.11 117.00 107.02 2pnq n LEU 151 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 2pnq n LEU 151 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.59 2pnq n LEU 151 CO 0.21 0.00 0.00 -0.67 -0.00 0.00 0.00 177.39 176.93 2pnq n ASP 158 N 0.00 0.00 -4.27 1.45 -0.08 -1.26 -5.09 116.55 107.30 2pnq n ASP 158 Ca 0.00 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.96 2pnq n ASP 158 Cb 0.00 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.30 2pnq n ASP 158 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2pnq s ILE 159 N 0.00 2.18 -0.43 5.18 1.01 -1.26 -5.10 121.20 122.78 2pnq s ILE 159 Ca 0.00 -1.01 -0.19 0.00 0.00 0.00 0.00 60.65 59.45 2pnq s ILE 159 Cb 0.00 -1.81 0.02 0.00 0.01 0.00 0.00 42.46 40.68 2pnq s ILE 159 CO 0.00 0.56 0.54 -0.62 0.00 0.00 0.00 174.94 175.42 2pnq s ASP 160 N 0.01 6.26 0.23 3.58 2.15 -1.26 -4.98 116.67 122.66 2pnq s ASP 160 Ca -0.08 -0.49 -0.06 0.00 0.43 0.00 0.00 52.55 52.35 2pnq s ASP 160 Cb -0.15 -2.27 0.38 0.00 -0.30 0.00 0.00 42.92 40.57 2pnq s ASP 160 CO 0.05 -0.67 1.77 0.58 -0.17 0.00 0.00 175.17 176.74 2pnq h VAL 161 N 5.79 0.82 -0.10 1.11 2.07 -1.98 -0.33 116.25 123.63 2pnq h VAL 161 Ca -0.26 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.06 2pnq h VAL 161 Cb 1.10 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2pnq h VAL 161 CO 0.84 0.11 0.03 0.50 0.02 0.00 0.00 177.57 179.07 2pnq h LYS 162 N 0.60 0.08 -0.07 1.57 3.64 -2.00 -1.34 116.57 119.04 2pnq h LYS 162 Ca 0.37 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.66 2pnq h LYS 162 Cb 0.43 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2pnq h LYS 162 CO -0.29 0.05 -0.35 0.93 -2.27 0.00 0.00 179.45 177.52 2pnq h GLU 163 N 0.08 0.14 -0.39 1.90 3.07 -1.86 -2.54 114.58 114.98 2pnq h GLU 163 Ca 0.04 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 58.75 2pnq h GLU 163 Cb 0.02 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.91 2pnq h GLU 163 CO -0.04 0.48 -0.13 0.00 -1.40 0.00 0.00 179.01 177.92 2pnq h ALA 164 N 1.52 1.05 -0.04 3.43 0.00 -0.55 -1.80 119.26 122.86 2pnq h ALA 164 Ca 0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2pnq h ALA 164 Cb 0.68 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2pnq h ALA 164 CO 0.05 0.58 -0.00 -0.07 0.00 0.00 0.00 179.25 179.81 2pnq h LEU 165 N 0.63 0.07 -0.50 0.00 3.38 -0.96 0.36 115.31 118.29 2pnq h LEU 165 Ca 0.11 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.79 2pnq h LEU 165 Cb 0.58 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2pnq h LEU 165 CO 0.04 0.36 0.29 0.40 0.09 0.00 0.00 178.44 179.62 2pnq h ILE 166 N -0.23 1.04 -0.22 1.22 2.04 -1.41 0.05 117.51 120.00 2pnq h ILE 166 Ca 0.01 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 2pnq h ILE 166 Cb 0.33 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2pnq h ILE 166 CO 0.00 0.11 0.08 0.78 0.00 0.00 0.00 178.15 179.12 2pnq h ASN 167 N 0.58 0.31 -0.52 1.72 2.35 -1.29 -1.21 115.58 117.52 2pnq h ASN 167 Ca 0.20 -0.18 0.03 0.00 -0.55 0.00 0.00 56.30 55.81 2pnq h ASN 167 Cb 0.04 -0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.29 2pnq h ASN 167 CO -0.10 0.40 0.29 0.00 -1.65 0.00 0.00 177.43 176.38 2pnq h ALA 168 N 0.92 0.67 0.26 -0.83 0.00 -0.64 0.13 119.26 119.77 2pnq h ALA 168 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2pnq h ALA 168 Cb 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2pnq h ALA 168 CO -0.00 -0.02 -0.12 0.74 0.00 0.00 0.00 179.25 179.84 2pnq h PHE 169 N 0.58 -0.32 -0.09 0.00 0.05 -0.88 -2.68 116.94 113.59 2pnq h PHE 169 Ca 0.22 -0.01 -0.05 0.00 3.82 0.00 0.00 57.97 61.96 2pnq h PHE 169 Cb 0.07 0.11 -0.01 0.00 2.00 0.00 0.00 35.95 38.12 2pnq h PHE 169 CO -0.08 -0.14 -0.15 0.87 -0.18 0.00 0.00 178.31 178.63 2pnq h LYS 170 N -0.42 0.15 0.11 1.51 1.57 -1.02 -2.53 116.57 115.93 2pnq h LYS 170 Ca -0.04 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2pnq h LYS 170 Cb 0.32 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2pnq h LYS 170 CO 0.06 0.31 -0.05 -0.09 -0.57 0.00 0.00 179.45 179.10 2pnq h ARG 171 N 0.14 -0.14 -1.00 3.15 1.12 -0.60 -1.85 114.38 115.20 2pnq h ARG 171 Ca 0.03 0.01 0.02 0.00 -1.11 0.00 0.00 59.98 58.93 2pnq h ARG 171 Cb 0.36 0.03 -0.05 0.00 -0.01 0.00 0.00 29.97 30.30 2pnq h ARG 171 CO 0.02 0.15 0.66 1.25 -3.11 0.00 0.00 179.97 178.94 2pnq h LEU 172 N -0.43 1.13 -0.46 3.80 5.85 -1.32 0.30 115.31 124.19 2pnq h LEU 172 Ca -0.01 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 2pnq h LEU 172 Cb 0.35 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2pnq h LEU 172 CO 0.02 0.81 0.03 -0.78 -0.34 0.00 0.00 178.44 178.18 2pnq h ASP 173 N 1.33 0.78 0.05 1.25 -0.00 -1.41 -0.59 116.42 117.83 2pnq h ASP 173 Ca 0.37 -0.29 -0.11 0.00 -0.00 0.00 0.00 57.03 57.01 2pnq h ASP 173 Cb -0.11 -0.21 -0.01 0.00 -0.00 0.00 0.00 39.33 39.00 2pnq h ASP 173 CO -0.09 0.87 -0.35 -1.13 -0.00 0.00 0.00 179.24 178.54 2pnq h ASN 174 N 0.66 0.43 -0.06 2.28 -0.73 -0.76 -1.94 115.58 115.44 2pnq h ASN 174 Ca 0.14 -0.17 -0.11 0.00 1.87 0.00 0.00 56.30 58.03 2pnq h ASN 174 Cb 0.46 -0.12 -0.01 0.00 0.27 0.00 0.00 38.32 38.92 2pnq h ASN 174 CO 0.02 0.75 -0.31 0.44 -0.37 0.00 0.00 177.43 177.96 2pnq h ASP 175 N 0.35 0.55 -0.52 1.15 5.19 -0.13 -2.68 116.42 120.33 2pnq h ASP 175 Ca 0.04 -0.21 -0.09 0.00 -0.62 0.00 0.00 57.03 56.16 2pnq h ASP 175 Cb 0.78 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 40.12 2pnq h ASP 175 CO 0.06 0.83 0.01 0.40 -3.12 0.00 0.00 179.24 177.42 2pnq h ILE 176 N 0.46 1.26 0.21 0.35 2.04 -0.83 -1.34 117.51 119.65 2pnq h ILE 176 Ca 0.06 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 2pnq h ILE 176 Cb 0.77 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2pnq h ILE 176 CO 0.06 0.39 -0.10 -1.28 0.00 0.00 0.00 178.15 177.22 2pnq h SER 177 N 0.89 -0.23 1.28 1.72 0.87 -1.12 -2.49 113.55 114.46 2pnq h SER 177 Ca 0.16 -0.14 -0.06 0.00 -1.23 0.00 0.00 61.79 60.52 2pnq h SER 177 Cb 0.51 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 2pnq h SER 177 CO 0.02 0.01 -0.28 0.17 -0.53 0.00 0.00 176.83 176.22 2pnq h LEU 178 N -0.48 0.00 -1.23 2.23 8.10 -1.51 -2.57 115.31 119.85 2pnq h LEU 178 Ca -0.03 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.90 2pnq h LEU 178 Cb 0.36 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.57 2pnq h LEU 178 CO 0.05 0.28 -0.16 -0.33 -4.11 0.00 0.00 178.44 174.16 2pnq h GLU 179 N 0.00 0.33 0.00 0.17 5.08 -1.19 -0.38 114.58 118.59 2pnq h GLU 179 Ca -0.00 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 2pnq h GLU 179 Cb 0.99 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2pnq h GLU 179 CO 0.04 0.49 -0.39 0.00 -1.00 0.00 0.00 179.01 178.15 2pnq h ALA 180 N 1.53 1.21 0.00 3.43 0.00 -1.05 -1.84 119.26 122.53 2pnq h ALA 180 Ca 0.06 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.42 2pnq h ALA 180 Cb 0.47 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2pnq h ALA 180 CO 0.03 0.49 -0.91 1.96 0.00 0.00 0.00 179.25 180.82 2pnq h GLN 181 N 0.00 0.00 0.00 0.00 4.20 -0.84 -3.35 115.11 115.12 2pnq h GLN 181 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2pnq h GLN 181 Cb 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2pnq h GLN 181 CO 0.05 0.87 -1.39 0.28 -0.67 0.00 0.00 178.83 177.97 2pnq n VAL 182 N -3.31 0.00 -0.84 -0.54 0.31 -0.54 -5.08 118.33 108.33 2pnq n VAL 182 Ca -0.00 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 2pnq n VAL 182 Cb 0.90 0.51 0.00 0.00 -0.91 0.00 0.00 33.84 34.34 2pnq n VAL 182 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pnq n GLY 183 N 1.43 0.00 3.76 2.92 0.00 -0.70 -4.84 105.19 107.75 2pnq n GLY 183 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2pnq n GLY 183 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pnq s ASP 184 N -3.71 5.69 0.36 1.61 -1.08 -1.26 -4.93 116.67 113.35 2pnq s ASP 184 Ca 0.00 0.27 0.18 0.00 -0.52 0.00 0.00 52.55 52.48 2pnq s ASP 184 Cb 0.00 -1.71 1.24 0.00 -1.46 0.00 0.00 42.92 40.99 2pnq s ASP 184 CO 0.00 0.39 1.61 -0.65 0.52 0.00 0.00 175.17 177.03 2pnq h PRO 185 N 5.06 0.10 -6.58 4.34 0.11 -1.97 -2.83 132.00 130.24 2pnq h PRO 185 Ca -0.52 -0.01 -0.59 0.00 0.11 0.00 0.00 66.00 64.99 2pnq h PRO 185 Cb 1.21 -0.02 0.09 0.00 0.11 0.00 0.00 31.00 32.38 2pnq h PRO 185 CO 0.56 0.06 0.51 0.09 -0.21 0.00 0.00 178.00 179.02 2pnq n ASN 186 N -5.21 2.46 -0.06 -2.05 3.02 -1.26 -4.78 115.26 107.38 2pnq n ASN 186 Ca 0.35 1.16 -0.09 0.00 -0.03 0.00 0.00 54.58 55.97 2pnq n ASN 186 Cb 1.17 -1.40 0.07 0.00 -0.61 0.00 0.00 39.78 39.01 2pnq n ASN 186 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 2pnq h SER 187 N 3.63 0.76 -0.45 6.41 0.87 -2.01 -2.01 113.55 120.75 2pnq h SER 187 Ca -0.44 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 59.79 2pnq h SER 187 Cb 1.29 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 63.02 2pnq h SER 187 CO 0.71 1.03 0.22 0.15 -0.53 0.00 0.00 176.83 178.41 2pnq h PHE 188 N 0.61 0.64 -0.58 2.24 -0.00 -1.88 -1.14 116.94 116.83 2pnq h PHE 188 Ca 0.07 -0.03 -0.04 0.00 -0.00 0.00 0.00 57.97 57.97 2pnq h PHE 188 Cb 0.85 -0.20 -0.03 0.00 -0.00 0.00 0.00 35.95 36.58 2pnq h PHE 188 CO 0.04 0.51 0.23 -0.07 -0.00 0.00 0.00 178.31 179.02 2pnq h LEU 189 N 0.59 0.81 -0.54 0.59 3.38 -1.79 -0.07 115.31 118.28 2pnq h LEU 189 Ca 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2pnq h LEU 189 Cb 0.10 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2pnq h LEU 189 CO -0.02 0.77 0.30 -1.13 0.09 0.00 0.00 178.44 178.44 2pnq h ASN 190 N 0.81 0.67 -0.69 -0.43 -0.73 -1.04 -1.68 115.58 112.50 2pnq h ASN 190 Ca 0.19 -0.09 -0.06 0.00 1.87 0.00 0.00 56.30 58.21 2pnq h ASN 190 Cb 0.21 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 38.60 2pnq h ASN 190 CO -0.01 0.57 0.21 0.22 -0.37 0.00 0.00 177.43 178.04 2pnq h TYR 191 N 0.72 1.13 -0.34 0.67 3.20 -0.92 -2.60 116.97 118.83 2pnq h TYR 191 Ca 0.19 -0.11 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 2pnq h TYR 191 Cb 0.04 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 37.97 2pnq h TYR 191 CO -0.02 0.90 0.15 1.25 -1.64 0.00 0.00 178.16 178.80 2pnq h LEU 192 N 1.04 0.45 -1.61 2.82 5.85 -0.68 0.25 115.31 123.44 2pnq h LEU 192 Ca 0.23 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 2pnq h LEU 192 Cb 0.31 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2pnq h LEU 192 CO -0.01 0.48 -0.21 -0.37 -0.34 0.00 0.00 178.44 177.99 2pnq h VAL 193 N 0.40 1.02 -0.02 1.05 -1.51 -1.11 -1.05 116.25 115.03 2pnq h VAL 193 Ca 0.11 -0.76 -0.07 0.00 -1.23 0.00 0.00 66.70 64.75 2pnq h VAL 193 Cb 0.16 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 30.75 2pnq h VAL 193 CO -0.01 0.21 -0.26 -0.07 -1.23 0.00 0.00 177.57 176.21 2pnq h LEU 194 N 0.00 0.26 -0.62 4.19 4.07 -1.17 -2.11 115.31 119.94 2pnq h LEU 194 Ca -0.00 -0.72 0.08 0.00 0.08 0.00 0.00 57.88 57.32 2pnq h LEU 194 Cb 0.41 -0.08 -0.07 0.00 1.08 0.00 0.00 40.66 42.00 2pnq h LEU 194 CO 0.03 0.94 0.27 0.03 -1.08 0.00 0.00 178.44 178.63 2pnq h ARG 195 N -0.40 0.47 0.19 1.13 3.08 -0.58 0.30 114.38 118.58 2pnq h ARG 195 Ca -0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2pnq h ARG 195 Cb 0.96 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.91 2pnq h ARG 195 CO 0.05 0.31 -0.09 0.28 -1.07 0.00 0.00 179.97 179.45 2pnq h VAL 196 N 0.49 0.85 0.00 2.04 2.07 -1.27 -0.85 116.25 119.57 2pnq h VAL 196 Ca 0.30 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 2pnq h VAL 196 Cb 0.32 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2pnq h VAL 196 CO -0.26 0.04 -0.17 0.00 0.02 0.00 0.00 177.57 177.20 2pnq h ALA 197 N 0.44 1.28 -0.00 1.67 0.00 -0.77 -2.93 119.26 118.96 2pnq h ALA 197 Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2pnq h ALA 197 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2pnq h ALA 197 CO 0.04 0.21 -0.86 1.19 0.00 0.00 0.00 179.25 179.83 2pnq n PHE 198 N -3.70 0.00 -2.63 0.00 3.01 0.10 -2.66 117.46 111.58 2pnq n PHE 198 Ca -0.02 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.23 2pnq n PHE 198 Cb 0.28 -0.03 0.11 0.00 -0.01 0.00 0.00 39.48 39.83 2pnq n PHE 198 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2pnq n SER 199 N -1.29 1.32 -4.15 4.37 3.41 -0.34 -4.50 113.62 112.43 2pnq n SER 199 Ca 0.05 -2.09 -0.11 0.00 -0.26 0.00 0.00 58.87 56.46 2pnq n SER 199 Cb 0.35 -0.58 -0.09 0.00 -0.26 0.00 0.00 64.21 63.63 2pnq n SER 199 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2pnq s GLY 200 N -4.85 1.16 -0.24 5.00 0.00 -0.85 0.97 107.32 108.51 2pnq s GLY 200 Ca 0.61 -1.49 -0.26 0.00 0.00 0.00 0.00 44.72 43.58 2pnq s GLY 200 CO 0.40 -1.25 0.84 0.00 0.00 0.00 0.00 173.10 173.09 2pnq s ALA 201 N -4.11 -1.86 0.70 3.20 0.00 -0.89 -1.58 121.76 117.23 2pnq s ALA 201 Ca 0.32 1.86 -0.10 0.00 0.00 0.00 0.00 51.96 54.04 2pnq s ALA 201 Cb 0.06 -1.09 0.03 0.00 0.00 0.00 0.00 23.12 22.12 2pnq s ALA 201 CO 0.09 -0.31 1.08 0.99 0.00 0.00 0.00 175.76 177.61 2pnq s THR 202 N 0.02 3.23 -0.28 0.00 2.01 0.14 0.10 115.64 120.87 2pnq s THR 202 Ca -0.00 0.30 -0.08 0.00 0.31 0.00 0.00 61.69 62.21 2pnq s THR 202 Cb -0.04 -3.38 0.13 0.00 0.01 0.00 0.00 72.50 69.22 2pnq s THR 202 CO -0.00 -0.48 0.59 0.00 -0.69 0.00 0.00 174.62 174.04 2pnq s ALA 203 N -3.33 -1.85 -0.30 7.40 0.00 0.26 -3.43 121.76 120.50 2pnq s ALA 203 Ca 0.58 2.10 0.02 0.00 0.00 0.00 0.00 51.96 54.66 2pnq s ALA 203 Cb -0.11 -1.71 0.09 0.00 0.00 0.00 0.00 23.12 21.39 2pnq s ALA 203 CO 0.50 -0.93 0.03 0.00 0.00 0.00 0.00 175.76 175.36 2pnq s VAL 205 N 1.20 3.03 -0.10 0.00 1.01 -0.72 -2.11 120.40 122.70 2pnq s VAL 205 Ca 0.05 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.27 2pnq s VAL 205 Cb -0.19 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 2pnq s VAL 205 CO -0.12 0.55 -0.20 0.00 0.00 0.00 0.00 175.10 175.34 2pnq s ALA 206 N -0.76 2.34 -0.19 5.51 0.00 0.61 -0.18 121.76 129.08 2pnq s ALA 206 Ca 0.12 -0.95 -0.02 0.00 0.00 0.00 0.00 51.96 51.11 2pnq s ALA 206 Cb -0.11 -0.94 -0.01 0.00 0.00 0.00 0.00 23.12 22.07 2pnq s ALA 206 CO 0.01 0.30 -0.09 -1.58 0.00 0.00 0.00 175.76 174.41 2pnq s HIS 207 N 0.23 2.90 -0.22 0.00 5.04 0.20 -1.84 115.29 121.60 2pnq s HIS 207 Ca -0.13 -0.98 0.02 0.00 -1.54 0.00 0.00 55.06 52.43 2pnq s HIS 207 Cb -0.16 -2.01 0.04 0.00 0.04 0.00 0.00 32.58 30.48 2pnq s HIS 207 CO 0.07 -0.51 -0.15 0.08 -2.34 0.00 0.00 174.74 171.89 2pnq s VAL 208 N 1.18 2.16 -0.31 0.89 1.01 -0.52 -0.84 120.40 123.98 2pnq s VAL 208 Ca 0.02 -1.27 0.02 0.00 0.00 0.00 0.00 61.98 60.75 2pnq s VAL 208 Cb -0.14 -2.09 0.09 0.00 0.00 0.00 0.00 36.38 34.23 2pnq s VAL 208 CO -0.03 0.25 0.03 -0.62 0.00 0.00 0.00 175.10 174.73 2pnq s ASP 209 N 1.20 4.38 1.89 3.32 2.15 -0.45 -0.71 116.67 128.45 2pnq s ASP 209 Ca -0.02 -1.78 0.00 0.00 0.43 0.00 0.00 52.55 51.18 2pnq s ASP 209 Cb -0.16 -1.34 0.00 0.00 -0.30 0.00 0.00 42.92 41.12 2pnq s ASP 209 CO -0.09 -0.35 0.00 0.61 -0.17 0.00 0.00 175.17 175.18 2pnq n GLY 210 N 4.50 3.89 0.14 2.66 0.00 -1.26 -0.95 105.19 114.17 2pnq n GLY 210 Ca -0.02 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.16 2pnq n GLY 210 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2pnq n VAL 211 N 0.00 0.00 -3.24 1.61 3.14 -1.26 -4.73 118.33 113.85 2pnq n VAL 211 Ca 0.00 -0.07 -0.40 0.00 -2.96 0.00 0.00 64.34 60.91 2pnq n VAL 211 Cb 0.00 0.08 -0.08 0.00 -1.06 0.00 0.00 33.84 32.79 2pnq n VAL 211 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 2pnq s ASP 212 N -2.58 6.42 -0.20 6.55 1.01 -0.12 0.04 116.67 127.79 2pnq s ASP 212 Ca 0.24 0.48 -0.02 0.00 0.71 0.00 0.00 52.55 53.96 2pnq s ASP 212 Cb 0.19 -2.28 0.00 0.00 1.01 0.00 0.00 42.92 41.85 2pnq s ASP 212 CO 0.52 -0.30 -0.10 -0.22 0.21 0.00 0.00 175.17 175.28 2pnq s LEU 213 N 2.31 2.63 -0.08 1.23 0.20 0.62 -1.34 118.68 124.25 2pnq s LEU 213 Ca 0.21 -0.48 0.04 0.00 0.69 0.00 0.00 54.13 54.59 2pnq s LEU 213 Cb -0.16 -1.65 -0.01 0.00 -0.43 0.00 0.00 46.19 43.94 2pnq s LEU 213 CO 0.09 -0.01 -0.20 -1.00 -0.29 0.00 0.00 176.35 174.95 2pnq s HIS 214 N 1.39 2.59 -0.15 5.38 3.76 -0.02 -0.16 115.29 128.09 2pnq s HIS 214 Ca 0.05 -0.64 0.02 0.00 -0.15 0.00 0.00 55.06 54.34 2pnq s HIS 214 Cb -0.14 -1.68 0.02 0.00 1.11 0.00 0.00 32.58 31.89 2pnq s HIS 214 CO -0.06 -0.17 -0.19 0.08 -0.85 0.00 0.00 174.74 173.55 2pnq s VAL 215 N -0.08 1.90 -0.26 -0.90 1.01 -0.70 0.61 120.40 121.97 2pnq s VAL 215 Ca -0.05 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 2pnq s VAL 215 Cb -0.14 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 2pnq s VAL 215 CO 0.04 0.52 0.08 0.00 0.00 0.00 0.00 175.10 175.74 2pnq s ALA 216 N 1.07 3.14 -0.03 5.51 0.00 0.74 -1.76 121.76 130.43 2pnq s ALA 216 Ca -0.02 -1.22 0.07 0.00 0.00 0.00 0.00 51.96 50.78 2pnq s ALA 216 Cb -0.14 -2.11 -0.02 0.00 0.00 0.00 0.00 23.12 20.85 2pnq s ALA 216 CO -0.06 -0.62 -0.23 1.21 0.00 0.00 0.00 175.76 176.07 2pnq s ASN 217 N 1.59 3.31 -0.30 0.00 2.47 0.02 -1.76 114.94 120.27 2pnq s ASN 217 Ca 0.05 -0.40 -0.02 0.00 0.42 0.00 0.00 52.86 52.91 2pnq s ASN 217 Cb -0.16 -0.53 0.10 0.00 -1.45 0.00 0.00 41.25 39.22 2pnq s ASN 217 CO 0.03 0.32 0.12 -0.89 -3.72 0.00 0.00 177.10 172.96 2pnq s THR 218 N -0.59 0.38 0.00 -5.21 2.01 0.54 -0.51 115.64 112.26 2pnq s THR 218 Ca 0.09 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 61.02 2pnq s THR 218 Cb -0.11 -1.30 0.00 0.00 0.01 0.00 0.00 72.50 71.10 2pnq s THR 218 CO -0.00 -0.71 0.00 0.61 -0.69 0.00 0.00 174.62 173.83 2pnq n GLY 219 N 5.05 0.02 1.22 4.40 0.00 -1.24 -0.58 105.19 114.07 2pnq n GLY 219 Ca -0.04 -2.22 0.09 0.00 0.00 0.00 0.00 46.02 43.85 2pnq n GLY 219 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pnq n ASP 220 N 0.00 4.01 -4.52 1.61 3.85 -1.26 -1.31 116.55 118.93 2pnq n ASP 220 Ca 0.00 -2.28 -0.29 0.00 -0.71 0.00 0.00 54.79 51.51 2pnq n ASP 220 Cb 0.00 -0.46 0.14 0.00 -1.35 0.00 0.00 41.12 39.44 2pnq n ASP 220 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 2pnq s SER 221 N -1.06 3.74 0.04 -1.12 0.01 -1.26 -4.04 113.70 110.00 2pnq s SER 221 Ca 0.43 0.56 -0.22 0.00 1.31 0.00 0.00 55.95 58.03 2pnq s SER 221 Cb 0.26 -0.84 0.05 0.00 0.21 0.00 0.00 66.02 65.69 2pnq s SER 221 CO 0.23 -2.37 0.50 -0.60 0.41 0.00 0.00 173.24 171.41 2pnq s ARG 222 N -5.70 1.01 -0.11 12.44 3.52 -0.30 -4.76 118.95 125.05 2pnq s ARG 222 Ca 0.68 -0.25 -0.00 0.00 -0.13 0.00 0.00 55.73 56.02 2pnq s ARG 222 Cb -0.08 0.46 -0.02 0.00 -1.56 0.00 0.00 34.95 33.75 2pnq s ARG 222 CO 0.51 -0.36 -0.09 0.00 -0.81 0.00 0.00 175.30 174.55 2pnq s ALA 223 N -2.42 2.81 -0.03 6.12 0.00 -1.26 -1.88 121.76 125.10 2pnq s ALA 223 Ca -0.05 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.03 2pnq s ALA 223 Cb -0.01 -1.26 0.01 0.00 0.00 0.00 0.00 23.12 21.87 2pnq s ALA 223 CO -0.02 0.37 -0.05 1.41 0.00 0.00 0.00 175.76 177.47 2pnq s MET 224 N -0.12 0.79 -0.10 0.00 1.75 -0.72 -2.07 119.30 118.82 2pnq s MET 224 Ca 0.00 -0.15 -0.14 0.00 -1.25 0.00 0.00 55.69 54.15 2pnq s MET 224 Cb -0.13 -0.78 -0.05 0.00 2.84 0.00 0.00 34.83 36.71 2pnq s MET 224 CO 0.03 -0.01 0.35 -1.17 -0.65 0.00 0.00 175.02 173.56 2pnq s LEU 225 N 0.61 4.33 -0.42 4.11 2.96 -0.10 -1.03 118.68 129.15 2pnq s LEU 225 Ca -0.08 0.69 -0.18 0.00 -0.22 0.00 0.00 54.13 54.34 2pnq s LEU 225 Cb -0.12 -2.47 0.02 0.00 0.50 0.00 0.00 46.19 44.13 2pnq s LEU 225 CO 0.00 0.17 0.48 -0.83 -1.32 0.00 0.00 176.35 174.85 2pnq s GLY 226 N -0.05 1.85 -0.17 7.98 0.00 0.23 -1.89 107.32 115.27 2pnq s GLY 226 Ca 0.20 -1.43 -0.03 0.00 0.00 0.00 0.00 44.72 43.47 2pnq s GLY 226 CO 0.08 1.24 -0.07 0.14 0.00 0.00 0.00 173.10 174.49 2pnq s VAL 227 N 2.28 3.48 -0.23 1.40 1.01 0.75 -0.88 120.40 128.20 2pnq s VAL 227 Ca 0.14 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 2pnq s VAL 227 Cb -0.16 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 2pnq s VAL 227 CO 0.15 0.48 0.24 -1.58 0.00 0.00 0.00 175.10 174.38 2pnq s GLN 228 N 0.72 4.09 0.94 2.72 0.74 -0.56 0.26 119.66 128.56 2pnq s GLN 228 Ca -0.03 -0.13 -0.12 0.00 0.05 0.00 0.00 55.36 55.13 2pnq s GLN 228 Cb -0.15 -3.55 0.15 0.00 1.10 0.00 0.00 33.01 30.56 2pnq s GLN 228 CO 0.02 0.00 1.12 -1.21 -0.55 0.00 0.00 175.29 174.67 2pnq s GLU 229 N 1.22 0.92 0.62 1.67 8.01 0.11 -4.84 118.70 126.39 2pnq s GLU 229 Ca 0.11 0.40 0.38 0.00 0.01 0.00 0.00 54.97 55.87 2pnq s GLU 229 Cb -0.14 -1.80 2.02 0.00 -4.31 0.00 0.00 34.13 29.90 2pnq s GLU 229 CO 0.06 -2.37 2.25 1.05 0.01 0.00 0.00 175.26 176.25 2pnq h GLU 230 N -1.63 0.00 0.00 1.61 4.11 -1.98 -1.05 114.58 115.64 2pnq h GLU 230 Ca -0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.91 2pnq h GLU 230 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2pnq h GLU 230 CO 0.60 0.02 -0.65 -0.40 0.07 0.00 0.00 179.01 178.65 2pnq n ASP 231 N -3.27 0.60 0.00 3.06 3.85 -1.26 -4.94 116.55 114.59 2pnq n ASP 231 Ca -0.02 -0.10 0.00 0.00 -0.71 0.00 0.00 54.79 53.96 2pnq n ASP 231 Cb 0.14 0.32 0.00 0.00 -1.35 0.00 0.00 41.12 40.22 2pnq n ASP 231 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2pnq n GLY 232 N 1.41 1.22 3.78 6.12 0.00 -0.40 -5.08 105.19 112.24 2pnq n GLY 232 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 2pnq n GLY 232 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pnq s SER 233 N -1.79 4.74 -0.03 1.61 0.15 -1.26 -4.72 113.70 112.41 2pnq s SER 233 Ca 0.00 1.79 0.01 0.00 0.70 0.00 0.00 55.95 58.46 2pnq s SER 233 Cb 0.00 -2.52 -0.03 0.00 -1.71 0.00 0.00 66.02 61.76 2pnq s SER 233 CO 0.00 -1.87 -0.04 0.26 1.20 0.00 0.00 173.24 172.78 2pnq s TRP 234 N -2.89 2.98 -0.03 3.44 0.52 -1.26 -0.71 118.94 121.00 2pnq s TRP 234 Ca 0.61 0.04 0.05 0.00 0.02 0.00 0.00 56.10 56.82 2pnq s TRP 234 Cb -0.17 -1.68 -0.01 0.00 -1.15 0.00 0.00 33.47 30.46 2pnq s TRP 234 CO 0.54 0.39 -0.19 0.45 0.02 0.00 0.00 176.95 178.17 2pnq s SER 235 N -1.18 2.25 -0.16 2.95 0.15 0.14 -4.88 113.70 112.96 2pnq s SER 235 Ca 0.16 -0.36 -0.04 0.00 0.70 0.00 0.00 55.95 56.41 2pnq s SER 235 Cb -0.11 -0.42 -0.03 0.00 -1.71 0.00 0.00 66.02 63.75 2pnq s SER 235 CO 0.05 0.20 -0.02 0.00 1.20 0.00 0.00 173.24 174.68 2pnq s ALA 236 N -0.24 3.07 -0.11 5.45 0.00 -1.26 -0.18 121.76 128.48 2pnq s ALA 236 Ca 0.02 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.19 2pnq s ALA 236 Cb -0.09 -1.63 0.01 0.00 0.00 0.00 0.00 23.12 21.41 2pnq s ALA 236 CO 0.01 0.18 -0.21 0.14 0.00 0.00 0.00 175.76 175.87 2pnq s VAL 237 N 0.41 1.91 0.18 0.00 -7.23 -0.79 -4.96 120.40 109.92 2pnq s VAL 237 Ca -0.03 -0.91 -0.30 0.00 -1.81 0.00 0.00 61.98 58.93 2pnq s VAL 237 Cb -0.14 -1.68 -0.08 0.00 0.56 0.00 0.00 36.38 35.04 2pnq s VAL 237 CO 0.02 0.52 1.30 -0.89 -0.31 0.00 0.00 175.10 175.75 2pnq s THR 238 N 0.63 3.31 -0.63 5.32 2.01 -1.26 -0.92 115.64 124.10 2pnq s THR 238 Ca -0.13 1.05 0.06 0.00 0.31 0.00 0.00 61.69 62.99 2pnq s THR 238 Cb -0.16 -3.67 0.14 0.00 0.01 0.00 0.00 72.50 68.81 2pnq s THR 238 CO 0.03 0.14 1.00 0.18 -0.69 0.00 0.00 174.62 175.28 2pnq n LEU 239 N 2.91 2.20 -3.64 4.42 4.77 -0.88 -4.92 117.00 121.86 2pnq n LEU 239 Ca 0.07 -1.66 -0.15 0.00 -0.03 0.00 0.00 56.01 54.24 2pnq n LEU 239 Cb 0.43 -0.09 -0.08 0.00 -2.33 0.00 0.00 43.42 41.36 2pnq n LEU 239 CO 0.58 0.53 0.25 -0.94 -1.33 0.00 0.00 177.39 176.47 2pnq s SER 240 N -0.84 -0.49 -0.19 -1.43 1.04 -1.25 -4.66 113.70 105.88 2pnq s SER 240 Ca 0.12 0.62 -0.09 0.00 0.48 0.00 0.00 55.95 57.08 2pnq s SER 240 Cb 0.06 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.76 2pnq s SER 240 CO 0.09 -0.44 0.10 0.20 0.98 0.00 0.00 173.24 174.16 2pnq s ASN 241 N -0.84 5.92 0.22 7.02 0.01 -1.26 -4.80 114.94 121.21 2pnq s ASN 241 Ca -0.09 0.17 -0.30 0.00 -0.71 0.00 0.00 52.86 51.92 2pnq s ASN 241 Cb -0.03 -2.02 -0.09 0.00 0.41 0.00 0.00 41.25 39.52 2pnq s ASN 241 CO 0.06 0.19 1.38 -1.81 -1.51 0.00 0.00 177.10 175.40 2pnq s ASP 242 N 0.30 6.78 -0.96 -1.22 1.01 -1.26 -4.88 116.67 116.44 2pnq s ASP 242 Ca 0.06 2.52 -0.16 0.00 0.71 0.00 0.00 52.55 55.68 2pnq s ASP 242 Cb -0.12 -2.61 0.18 0.00 1.01 0.00 0.00 42.92 41.38 2pnq s ASP 242 CO -0.01 -0.61 1.06 -1.00 0.21 0.00 0.00 175.17 174.82 2pnq s HIS 243 N 0.12 3.48 0.18 4.23 3.76 -0.42 -4.57 115.29 122.07 2pnq s HIS 243 Ca 0.58 -1.80 -0.06 0.00 -0.15 0.00 0.00 55.06 53.63 2pnq s HIS 243 Cb -0.39 -4.10 0.02 0.00 1.11 0.00 0.00 32.58 29.22 2pnq s HIS 243 CO 0.40 -1.27 0.35 0.27 -0.85 0.00 0.00 174.74 173.63 2pnq n ASN 244 N 5.27 -1.01 0.18 1.40 2.04 -1.26 0.01 115.26 121.90 2pnq n ASN 244 Ca 0.23 -1.75 0.17 0.00 -0.44 0.00 0.00 54.58 52.79 2pnq n ASN 244 Cb 0.47 1.69 0.80 0.00 -2.53 0.00 0.00 39.78 40.21 2pnq n ASN 244 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2pnq h ALA 245 N 1.97 1.91 0.00 -2.53 0.00 -1.78 0.49 119.26 119.31 2pnq h ALA 245 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2pnq h ALA 245 Cb 0.56 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2pnq h ALA 245 CO 0.19 -0.32 0.00 1.04 0.00 0.00 0.00 179.25 180.16 2pnq n GLN 246 N -3.92 0.88 -3.64 0.00 1.13 -1.26 -4.50 117.38 106.07 2pnq n GLN 246 Ca 0.02 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 54.70 2pnq n GLN 246 Cb 0.35 -1.43 -0.09 0.00 0.11 0.00 0.00 30.24 29.18 2pnq n GLN 246 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 2pnq s ASN 247 N -1.88 5.54 0.51 1.08 3.84 0.16 -4.96 114.94 119.23 2pnq s ASN 247 Ca 0.36 -2.51 0.16 0.00 0.21 0.00 0.00 52.86 51.08 2pnq s ASN 247 Cb 0.17 -1.93 1.23 0.00 -0.55 0.00 0.00 41.25 40.17 2pnq s ASN 247 CO 0.28 -0.49 2.12 -0.33 -2.79 0.00 0.00 177.10 175.89 2pnq h GLU 248 N 7.58 0.07 -0.01 0.43 4.39 -1.84 0.35 114.58 125.55 2pnq h GLU 248 Ca -0.06 -0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.52 2pnq h GLU 248 Cb 1.00 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.62 2pnq h GLU 248 CO 0.75 0.05 -0.54 0.00 -1.16 0.00 0.00 179.01 178.10 2pnq h ARG 249 N 0.07 0.03 -0.01 2.33 3.08 -1.95 -1.05 114.38 116.88 2pnq h ARG 249 Ca 0.05 -0.02 -0.17 0.00 0.07 0.00 0.00 59.98 59.91 2pnq h ARG 249 Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 2pnq h ARG 249 CO -0.01 0.56 -0.79 1.49 -1.07 0.00 0.00 179.97 180.16 2pnq h GLU 250 N 0.02 0.12 -0.12 0.04 4.57 -1.34 -1.69 114.58 116.17 2pnq h GLU 250 Ca -0.00 -0.11 -0.14 0.00 -1.18 0.00 0.00 59.36 57.92 2pnq h GLU 250 Cb 0.97 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.58 2pnq h GLU 250 CO 0.07 0.84 -0.54 -0.07 -1.18 0.00 0.00 179.01 178.13 2pnq h LEU 251 N 0.07 0.40 -0.45 1.64 4.07 -0.85 -2.02 115.31 118.18 2pnq h LEU 251 Ca -0.02 -0.21 -0.18 0.00 0.08 0.00 0.00 57.88 57.55 2pnq h LEU 251 Cb 1.38 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 43.00 2pnq h LEU 251 CO 0.11 0.86 -0.69 0.06 -1.08 0.00 0.00 178.44 177.71 2pnq h GLN 252 N 0.28 0.41 -0.51 1.13 3.07 -1.06 -2.65 115.11 115.77 2pnq h GLN 252 Ca 0.00 -0.32 -0.06 0.00 0.09 0.00 0.00 58.65 58.37 2pnq h GLN 252 Cb 1.04 0.06 -0.02 0.00 0.08 0.00 0.00 27.48 28.65 2pnq h GLN 252 CO 0.09 0.95 0.08 -0.09 0.09 0.00 0.00 178.83 179.95 2pnq h ARG 253 N 0.29 0.85 -0.04 0.06 2.43 -1.19 -2.14 114.38 114.63 2pnq h ARG 253 Ca -0.02 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 58.92 2pnq h ARG 253 Cb 1.25 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2pnq h ARG 253 CO 0.12 0.84 0.02 -0.07 -1.51 0.00 0.00 179.97 179.37 2pnq h LEU 254 N 0.73 0.05 -1.86 3.80 4.07 -1.34 -1.42 115.31 119.34 2pnq h LEU 254 Ca 0.15 -0.12 -0.03 0.00 0.08 0.00 0.00 57.88 57.96 2pnq h LEU 254 Cb 0.40 -0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.13 2pnq h LEU 254 CO 0.01 0.16 -0.13 0.11 -1.08 0.00 0.00 178.44 177.51 2pnq h LYS 255 N -0.06 0.00 0.00 1.13 1.57 -1.46 -2.59 116.57 115.16 2pnq h LYS 255 Ca 0.01 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.61 2pnq h LYS 255 Cb 0.12 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 2pnq h LYS 255 CO -0.00 0.13 -0.89 1.25 -0.57 0.00 0.00 179.45 179.37 2pnq h LEU 256 N 0.00 0.00 0.00 2.94 5.85 -0.99 -3.20 115.31 119.90 2pnq h LEU 256 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2pnq h LEU 256 Cb 0.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2pnq h LEU 256 CO 0.02 0.89 0.00 -0.62 -0.34 0.00 0.00 178.44 178.38 2pnq n GLU 257 N -3.32 0.59 -4.13 1.25 1.02 -0.57 -4.83 120.64 110.66 2pnq n GLU 257 Ca 0.00 0.03 -0.09 0.00 -0.02 0.00 0.00 57.16 57.08 2pnq n GLU 257 Cb 0.89 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.71 2pnq n GLU 257 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2pnq s HIS 258 N -2.27 0.70 0.85 -0.32 3.76 -1.21 -5.09 115.29 111.71 2pnq s HIS 258 Ca 0.31 -1.01 -0.14 0.00 -0.15 0.00 0.00 55.06 54.07 2pnq s HIS 258 Cb 0.17 -0.45 0.01 0.00 1.11 0.00 0.00 32.58 33.42 2pnq s HIS 258 CO 0.33 -0.29 0.52 -2.30 -0.85 0.00 0.00 174.74 172.15 2pnq n PRO 259 N 0.03 -0.01 -0.22 8.40 -0.02 -1.26 -4.86 135.00 137.06 2pnq n PRO 259 Ca -0.13 0.05 -0.03 0.00 -2.02 0.00 0.00 63.50 61.37 2pnq n PRO 259 Cb 0.61 -1.89 0.17 0.00 -0.02 0.00 0.00 33.50 32.36 2pnq n PRO 259 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2pnq h LYS 260 N -1.03 1.03 -0.01 -0.52 3.64 -1.97 -1.62 116.57 116.09 2pnq h LYS 260 Ca -0.44 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 58.80 2pnq h LYS 260 Cb 1.31 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2pnq h LYS 260 CO 0.38 0.79 0.08 -2.95 -2.27 0.00 0.00 179.45 175.49 2pnq h ASN 261 N 1.02 0.00 0.01 4.20 7.08 -1.98 -0.89 115.58 125.02 2pnq h ASN 261 Ca 0.25 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.47 2pnq h ASN 261 Cb 0.11 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.35 2pnq h ASN 261 CO -0.03 0.00 -0.02 -0.62 -2.08 0.00 0.00 177.43 174.67 2pnq n GLU 262 N -3.08 1.61 -0.19 4.14 1.02 -0.61 -4.04 120.64 119.48 2pnq n GLU 262 Ca -0.03 -0.95 0.13 0.00 -0.02 0.00 0.00 57.16 56.29 2pnq n GLU 262 Cb 0.15 -1.48 0.44 0.00 -0.02 0.00 0.00 31.44 30.53 2pnq n GLU 262 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pnq h ALA 263 N 4.30 1.96 0.00 0.62 0.00 -1.25 0.18 119.26 125.07 2pnq h ALA 263 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pnq h ALA 263 Cb 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2pnq h ALA 263 CO 0.00 -0.15 0.00 1.63 0.00 0.00 0.00 179.25 180.73 2pnq n LYS 264 N -4.50 0.90 0.00 0.00 5.02 -1.26 -4.04 118.16 114.28 2pnq n LYS 264 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 2pnq n LYS 264 Cb 0.45 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 2pnq n LYS 264 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2pnq n SER 265 N -0.93 0.28 -0.20 4.39 3.41 0.47 -4.83 113.62 116.21 2pnq n SER 265 Ca 0.19 -0.01 0.01 0.00 -0.26 0.00 0.00 58.87 58.79 2pnq n SER 265 Cb 0.09 0.07 0.10 0.00 -0.26 0.00 0.00 64.21 64.21 2pnq n SER 265 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2pnq h VAL 266 N 0.00 0.52 -3.82 -3.33 2.07 -1.21 -3.34 116.25 107.15 2pnq h VAL 266 Ca 0.00 -0.05 -0.66 0.00 0.82 0.00 0.00 66.70 66.82 2pnq h VAL 266 Cb 0.00 0.38 -0.37 0.00 -1.52 0.00 0.00 31.29 29.77 2pnq h VAL 266 CO 0.00 0.02 -0.80 -0.69 0.02 0.00 0.00 177.57 176.13 2pnq s VAL 267 N -6.14 2.03 0.00 2.57 1.01 -1.26 0.11 120.40 118.71 2pnq s VAL 267 Ca -0.13 -1.55 0.00 0.00 0.00 0.00 0.00 61.98 60.30 2pnq s VAL 267 Cb 0.18 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.39 2pnq s VAL 267 CO 0.74 -0.05 0.00 0.29 0.00 0.00 0.00 175.10 176.08 2pnq n LYS 268 N 4.48 0.00 -1.17 2.72 5.02 -0.93 -4.89 118.16 123.40 2pnq n LYS 268 Ca -0.13 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.90 2pnq n LYS 268 Cb 0.42 -0.07 0.20 0.00 -0.02 0.00 0.00 35.03 35.56 2pnq n LYS 268 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2pnq n GLN 269 N -0.52 -2.14 0.00 1.97 3.00 -1.26 -4.71 117.38 113.71 2pnq n GLN 269 Ca 0.00 -1.58 0.00 0.00 -0.01 0.00 0.00 57.00 55.41 2pnq n GLN 269 Cb 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 30.24 28.94 2pnq n GLN 269 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 2pnq n ASP 270 N -4.25 0.00 -4.61 1.08 8.00 -1.26 -4.64 116.55 110.88 2pnq n ASP 270 Ca 0.13 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.34 2pnq n ASP 270 Cb 0.49 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.50 2pnq n ASP 270 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2pnq s ARG 271 N -0.91 2.24 -0.07 -1.24 0.52 -1.26 -4.21 118.95 114.02 2pnq s ARG 271 Ca 0.00 -1.03 -0.29 0.00 -0.52 0.00 0.00 55.73 53.88 2pnq s ARG 271 Cb 0.00 -2.34 -0.06 0.00 0.52 0.00 0.00 34.95 33.07 2pnq s ARG 271 CO 0.00 0.50 1.91 -1.17 0.02 0.00 0.00 175.30 176.56 2pnq s LEU 272 N -2.42 4.12 -2.19 2.53 1.98 0.19 -1.18 118.68 121.70 2pnq s LEU 272 Ca 0.24 2.26 0.00 0.00 -2.89 0.00 0.00 54.13 53.74 2pnq s LEU 272 Cb -0.11 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.22 2pnq s LEU 272 CO 0.16 -1.26 0.00 0.18 -1.89 0.00 0.00 176.35 173.53 2pnq n LEU 273 N 8.52 -1.52 0.00 -0.68 4.77 0.30 -1.26 117.00 127.13 2pnq n LEU 273 Ca 0.21 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.70 2pnq n LEU 273 Cb 0.43 -2.85 0.00 0.00 -2.33 0.00 0.00 43.42 38.67 2pnq n LEU 273 CO 0.66 -1.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.26 2pnq n GLY 274 N -0.44 0.51 1.38 -0.72 0.00 -0.33 -4.57 105.19 101.02 2pnq n GLY 274 Ca -0.21 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2pnq n GLY 274 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pnq n LEU 275 N 0.00 0.34 -4.74 0.99 4.77 -0.39 -4.81 117.00 113.16 2pnq n LEU 275 Ca 0.00 0.14 -0.39 0.00 -0.03 0.00 0.00 56.01 55.73 2pnq n LEU 275 Cb 0.00 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.01 2pnq n LEU 275 CO 0.00 -0.49 0.36 -0.76 -1.33 0.00 0.00 177.39 175.17 2pnq s LEU 276 N -6.34 4.37 -0.06 2.23 1.43 -1.04 -4.77 118.68 114.49 2pnq s LEU 276 Ca 0.00 1.19 -0.17 0.00 -1.03 0.00 0.00 54.13 54.13 2pnq s LEU 276 Cb 0.00 -3.03 -0.12 0.00 0.03 0.00 0.00 46.19 43.08 2pnq s LEU 276 CO 0.00 -0.02 0.67 0.24 0.23 0.00 0.00 176.35 177.47 2pnq h MET 277 N 6.23 -0.27 -6.89 1.70 2.86 -1.91 0.55 114.93 117.19 2pnq h MET 277 Ca -0.43 0.02 -0.52 0.00 -2.06 0.00 0.00 59.70 56.71 2pnq h MET 277 Cb 1.20 0.06 0.07 0.00 0.06 0.00 0.00 31.60 32.99 2pnq h MET 277 CO 0.73 0.04 0.63 -2.14 1.06 0.00 0.00 176.91 177.23 2pnq s PRO 278 N -3.07 4.31 0.00 -0.22 0.02 -1.26 -4.46 135.00 130.32 2pnq s PRO 278 Ca -0.10 2.20 0.23 0.00 0.02 0.00 0.00 61.00 63.35 2pnq s PRO 278 Cb 0.00 -3.03 0.53 0.00 0.02 0.00 0.00 34.50 32.02 2pnq s PRO 278 CO 0.34 -0.22 1.46 1.19 -0.33 0.00 0.00 177.00 179.44 2pnq n PHE 279 N 0.71 0.69 -3.75 6.54 3.72 0.10 -4.82 117.46 120.65 2pnq n PHE 279 Ca 0.00 -0.34 -0.13 0.00 -0.05 0.00 0.00 57.45 56.93 2pnq n PHE 279 Cb 0.42 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.86 2pnq n PHE 279 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2pnq s ARG 280 N -1.31 0.47 -0.22 -1.08 0.52 -1.26 -4.49 118.95 111.58 2pnq s ARG 280 Ca 0.42 0.33 -0.35 0.00 -0.52 0.00 0.00 55.73 55.62 2pnq s ARG 280 Cb 0.23 0.22 0.15 0.00 0.52 0.00 0.00 34.95 36.08 2pnq s ARG 280 CO 0.32 -0.08 1.25 0.00 0.02 0.00 0.00 175.30 176.81 2pnq s ALA 281 N -0.17 -2.10 0.78 2.13 0.00 0.53 -3.61 121.76 119.33 2pnq s ALA 281 Ca -0.03 1.70 -0.12 0.00 0.00 0.00 0.00 51.96 53.51 2pnq s ALA 281 Cb -0.03 -0.35 0.06 0.00 0.00 0.00 0.00 23.12 22.80 2pnq s ALA 281 CO 0.01 -0.53 1.15 -0.06 0.00 0.00 0.00 175.76 176.33 2pnq s PHE 282 N -2.13 3.04 0.00 0.00 0.40 0.12 -3.65 117.98 115.76 2pnq s PHE 282 Ca 0.09 0.85 0.00 0.00 -0.60 0.00 0.00 56.93 57.27 2pnq s PHE 282 Cb -0.01 -3.36 0.00 0.00 0.51 0.00 0.00 43.02 40.16 2pnq s PHE 282 CO -0.04 -1.62 0.00 0.41 0.70 0.00 0.00 175.22 174.67 2pnq n GLY 283 N -3.16 2.98 3.11 4.36 0.00 -1.26 -2.09 105.19 109.13 2pnq n GLY 283 Ca 0.08 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 2pnq n GLY 283 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pnq n ASP 284 N 5.15 -1.60 -0.13 1.61 10.43 0.27 -4.80 116.55 127.48 2pnq n ASP 284 Ca 0.00 -0.36 0.15 0.00 2.57 0.00 0.00 54.79 57.15 2pnq n ASP 284 Cb 0.00 -0.54 0.71 0.00 1.84 0.00 0.00 41.12 43.12 2pnq n ASP 284 CO 0.00 0.00 0.00 0.55 -1.07 0.00 0.00 177.20 176.68 2pnq n VAL 285 N -1.43 0.00 0.31 2.53 3.14 -1.09 -3.03 118.33 118.76 2pnq n VAL 285 Ca -0.10 -0.07 0.16 0.00 -2.96 0.00 0.00 64.34 61.38 2pnq n VAL 285 Cb 0.23 -0.15 0.71 0.00 -1.06 0.00 0.00 33.84 33.57 2pnq n VAL 285 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 2pnq h LYS 286 N 0.64 0.00 -0.39 1.45 3.64 -1.87 -2.12 116.57 117.93 2pnq h LYS 286 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2pnq h LYS 286 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2pnq h LYS 286 CO 0.00 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 178.37 2pnq n PHE 287 N -2.84 0.51 0.01 1.91 3.01 -1.17 -4.69 117.46 114.20 2pnq n PHE 287 Ca 0.00 -0.38 0.00 0.00 1.01 0.00 0.00 57.45 58.08 2pnq n PHE 287 Cb 0.24 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 2pnq n PHE 287 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2pnq n LYS 288 N 0.96 0.00 -1.27 -1.08 5.02 -0.90 -1.67 118.16 119.21 2pnq n LYS 288 Ca 0.15 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.13 2pnq n LYS 288 Cb 0.48 -0.48 0.09 0.00 -0.02 0.00 0.00 35.03 35.10 2pnq n LYS 288 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2pnq s TRP 289 N -2.00 2.59 0.71 2.13 0.51 -0.85 -4.14 118.94 117.90 2pnq s TRP 289 Ca 0.00 1.54 -0.12 0.00 -2.12 0.00 0.00 56.10 55.40 2pnq s TRP 289 Cb 0.00 -3.04 0.02 0.00 -0.81 0.00 0.00 33.47 29.64 2pnq s TRP 289 CO 0.00 -1.79 1.08 -1.54 -0.51 0.00 0.00 176.95 174.19 2pnq s SER 290 N -3.41 5.03 0.19 2.95 1.04 -1.26 -4.87 113.70 113.36 2pnq s SER 290 Ca 0.61 1.76 -0.11 0.00 0.48 0.00 0.00 55.95 58.69 2pnq s SER 290 Cb -0.17 -2.52 0.18 0.00 0.10 0.00 0.00 66.02 63.61 2pnq s SER 290 CO 0.56 -1.68 1.80 0.40 0.98 0.00 0.00 173.24 175.30 2pnq h ILE 291 N -0.70 0.99 -0.47 -1.02 1.08 -1.97 -1.52 117.51 113.89 2pnq h ILE 291 Ca -0.44 -0.21 -0.09 0.00 -0.39 0.00 0.00 64.86 63.72 2pnq h ILE 291 Cb 1.22 0.31 -0.02 0.00 -3.07 0.00 0.00 36.82 35.27 2pnq h ILE 291 CO 0.54 0.11 -0.08 -2.24 -0.69 0.00 0.00 178.15 175.80 2pnq h ASP 292 N 0.62 0.88 -0.86 1.72 2.03 -1.99 -0.82 116.42 117.99 2pnq h ASP 292 Ca 0.26 -0.34 0.04 0.00 -0.73 0.00 0.00 57.03 56.25 2pnq h ASP 292 Cb 0.13 -0.24 -0.05 0.00 -0.83 0.00 0.00 39.33 38.34 2pnq h ASP 292 CO -0.15 1.02 0.55 0.25 -1.03 0.00 0.00 179.24 179.88 2pnq h LEU 293 N 0.72 0.92 0.67 0.15 5.85 -1.85 -1.16 115.31 120.61 2pnq h LEU 293 Ca 0.12 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 2pnq h LEU 293 Cb 0.61 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.45 2pnq h LEU 293 CO 0.04 0.63 -0.32 1.56 -0.34 0.00 0.00 178.44 180.00 2pnq h GLN 294 N 1.07 -0.87 -0.33 1.25 4.20 -0.98 -2.26 115.11 117.18 2pnq h GLN 294 Ca 0.35 0.06 0.07 0.00 0.06 0.00 0.00 58.65 59.19 2pnq h GLN 294 Cb 0.02 0.20 -0.08 0.00 0.30 0.00 0.00 27.48 27.92 2pnq h GLN 294 CO -0.12 -0.55 -0.22 0.87 -0.67 0.00 0.00 178.83 178.14 2pnq h LYS 295 N -1.01 -0.18 0.25 1.46 1.57 -0.89 -1.12 116.57 116.65 2pnq h LYS 295 Ca -0.09 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2pnq h LYS 295 Cb 0.72 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 2pnq h LYS 295 CO 0.15 -0.12 -0.25 0.00 -0.57 0.00 0.00 179.45 178.67 2pnq h ARG 296 N -0.18 -0.51 -0.85 3.15 3.08 -1.25 -2.43 114.38 115.39 2pnq h ARG 296 Ca 0.17 0.03 0.11 0.00 0.07 0.00 0.00 59.98 60.37 2pnq h ARG 296 Cb 0.44 0.12 -0.08 0.00 0.08 0.00 0.00 29.97 30.53 2pnq h ARG 296 CO -0.44 -0.34 0.48 0.28 -1.07 0.00 0.00 179.97 178.88 2pnq h VAL 297 N -0.53 0.86 -0.09 2.04 2.07 -1.13 -0.03 116.25 119.44 2pnq h VAL 297 Ca -0.01 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.28 2pnq h VAL 297 Cb 0.49 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 2pnq h VAL 297 CO -0.05 0.14 0.25 0.40 0.02 0.00 0.00 177.57 178.32 2pnq h ILE 298 N 0.77 0.16 -0.41 4.57 1.08 -0.71 -3.23 117.51 119.74 2pnq h ILE 298 Ca 0.43 0.00 -0.71 0.00 -0.39 0.00 0.00 64.86 64.18 2pnq h ILE 298 Cb 0.46 0.77 -0.05 0.00 -3.07 0.00 0.00 36.82 34.93 2pnq h ILE 298 CO -0.28 0.00 3.03 1.21 -0.69 0.00 0.00 178.15 181.42 2pnq n GLU 299 N -3.25 3.44 0.00 2.37 2.13 -0.02 -4.60 120.64 120.70 2pnq n GLU 299 Ca -0.00 -2.78 0.00 0.00 0.66 0.00 0.00 57.16 55.04 2pnq n GLU 299 Cb 0.33 -3.01 0.00 0.00 0.27 0.00 0.00 31.44 29.03 2pnq n GLU 299 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2pnq n SER 300 N 4.46 0.00 0.00 4.31 3.41 -1.22 -5.09 113.62 119.49 2pnq n SER 300 Ca 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 2pnq n SER 300 Cb 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 2pnq n SER 300 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pnq n GLY 301 N 0.00 0.89 3.56 5.00 0.00 -1.26 -4.98 105.19 108.39 2pnq n GLY 301 Ca 0.00 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 2pnq n GLY 301 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2pnq s PRO 302 N -0.27 2.30 0.00 1.61 0.02 -1.26 -5.10 135.00 132.30 2pnq s PRO 302 Ca 0.00 0.05 0.00 0.00 0.02 0.00 0.00 61.00 61.07 2pnq s PRO 302 Cb 0.00 -4.91 0.00 0.00 0.02 0.00 0.00 34.50 29.61 2pnq s PRO 302 CO 0.00 -3.59 0.00 -0.40 -0.33 0.00 0.00 177.00 172.68 2pnq n ASP 303 N 15.15 0.00 -3.66 2.53 5.75 -1.26 -5.26 116.55 129.80 2pnq n ASP 303 Ca 0.40 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 55.04 2pnq n ASP 303 Cb 0.47 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.48 2pnq n ASP 303 CO 0.00 0.00 0.00 -2.84 -0.11 0.00 0.00 177.20 174.25 2pnq s PRO 315 N 0.06 0.72 0.00 0.11 0.02 -1.26 -5.23 135.00 129.42 2pnq s PRO 315 Ca 0.00 0.70 0.00 0.00 0.02 0.00 0.00 61.00 61.72 2pnq s PRO 315 Cb 0.00 0.35 0.00 0.00 0.02 0.00 0.00 34.50 34.87 2pnq s PRO 315 CO 0.00 -0.11 0.00 -2.30 -0.33 0.00 0.00 177.00 174.26 2pnq n PRO 316 N 2.49 0.00 -1.63 5.54 -0.02 -1.26 -3.56 135.00 136.56 2pnq n PRO 316 Ca -0.15 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 60.93 2pnq n PRO 316 Cb 0.56 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.03 2pnq n PRO 316 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2pnq n ASN 317 N 0.00 6.77 -4.56 2.55 3.02 -1.26 -4.87 115.26 116.90 2pnq n ASN 317 Ca 0.00 -2.78 -0.42 0.00 -0.03 0.00 0.00 54.58 51.34 2pnq n ASN 317 Cb 0.00 -1.56 -0.01 0.00 -0.61 0.00 0.00 39.78 37.60 2pnq n ASN 317 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2pnq s TYR 318 N 1.89 2.73 -0.21 3.10 5.04 -1.23 -4.74 117.35 123.94 2pnq s TYR 318 Ca 0.58 -1.37 -0.14 0.00 -2.44 0.00 0.00 57.07 53.70 2pnq s TYR 318 Cb 0.16 -4.71 -0.08 0.00 0.35 0.00 0.00 41.96 37.68 2pnq s TYR 318 CO -0.07 -1.83 -0.32 0.72 -1.34 0.00 0.00 175.55 172.71 2pnq n HIS 319 N 8.40 0.00 -2.89 4.97 8.25 -1.26 -4.74 115.22 127.96 2pnq n HIS 319 Ca 0.42 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.56 2pnq n HIS 319 Cb 0.48 -0.69 -0.02 0.00 1.12 0.00 0.00 29.99 30.87 2pnq n HIS 319 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2pnq n THR 320 N -4.25 4.15 0.00 1.59 -2.24 -1.26 -5.01 114.28 107.26 2pnq n THR 320 Ca -0.32 -5.71 0.00 0.00 -2.27 0.00 0.00 64.05 55.75 2pnq n THR 320 Cb 0.67 -1.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 2pnq n THR 320 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2pnq n PRO 321 N -0.01 0.00 -2.10 -0.78 -0.02 -1.26 -4.51 135.00 126.32 2pnq n PRO 321 Ca 0.36 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.44 2pnq n PRO 321 Cb 0.35 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.80 2pnq n PRO 321 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2pnq s PRO 322 N -0.71 2.82 -0.03 0.52 0.02 -1.26 -4.28 135.00 132.08 2pnq s PRO 322 Ca 0.00 0.64 0.08 0.00 0.02 0.00 0.00 61.00 61.75 2pnq s PRO 322 Cb 0.00 -4.32 -0.13 0.00 0.02 0.00 0.00 34.50 30.07 2pnq s PRO 322 CO 0.00 -2.51 0.14 0.66 -0.33 0.00 0.00 177.00 174.97 2pnq n TYR 323 N 11.92 0.00 -5.15 6.54 4.02 -0.67 -5.02 117.16 128.80 2pnq n TYR 323 Ca 0.19 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.79 2pnq n TYR 323 Cb 0.51 -0.26 -0.16 0.00 -0.02 0.00 0.00 39.34 39.41 2pnq n TYR 323 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 2pnq s LEU 324 N -3.90 2.04 0.24 7.72 2.96 -1.15 -5.03 118.68 121.56 2pnq s LEU 324 Ca -0.03 -0.42 0.10 0.00 -0.22 0.00 0.00 54.13 53.55 2pnq s LEU 324 Cb 0.05 -1.20 -0.05 0.00 0.50 0.00 0.00 46.19 45.49 2pnq s LEU 324 CO 0.35 0.28 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.60 2pnq s THR 325 N -0.50 2.12 -1.17 3.68 2.01 -1.26 -4.80 115.64 115.71 2pnq s THR 325 Ca 0.08 -2.28 0.11 0.00 0.31 0.00 0.00 61.69 59.91 2pnq s THR 325 Cb -0.09 -2.16 0.22 0.00 0.01 0.00 0.00 72.50 70.48 2pnq s THR 325 CO -0.00 -0.47 1.10 0.00 -0.69 0.00 0.00 174.62 174.55 2pnq n ALA 326 N -0.44 2.31 -1.94 7.40 0.00 -1.24 -0.34 120.51 126.26 2pnq n ALA 326 Ca -0.07 -0.92 -0.42 0.00 0.00 0.00 0.00 53.44 52.03 2pnq n ALA 326 Cb 0.60 -0.43 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 2pnq n ALA 326 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2pnq s GLU 327 N -0.99 4.18 0.69 0.00 2.12 -1.26 -4.71 118.70 118.74 2pnq s GLU 327 Ca 0.20 2.29 -0.11 0.00 0.36 0.00 0.00 54.97 57.70 2pnq s GLU 327 Cb 0.11 -3.93 0.00 0.00 0.26 0.00 0.00 34.13 30.58 2pnq s GLU 327 CO 0.16 -0.83 1.08 -1.25 -0.54 0.00 0.00 175.26 173.87 2pnq s PRO 328 N 3.78 2.99 -0.24 4.30 0.04 -1.26 -4.85 135.00 139.76 2pnq s PRO 328 Ca 0.76 0.59 -0.10 0.00 0.04 0.00 0.00 61.00 62.30 2pnq s PRO 328 Cb -0.36 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 2pnq s PRO 328 CO 0.32 -0.97 0.14 -2.00 0.04 0.00 0.00 177.00 174.52 2pnq s GLU 329 N -5.27 3.97 -0.10 4.56 2.12 0.34 -4.84 118.70 119.48 2pnq s GLU 329 Ca 0.58 -0.32 -0.01 0.00 0.36 0.00 0.00 54.97 55.58 2pnq s GLU 329 Cb -0.12 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.77 2pnq s GLU 329 CO 0.53 0.02 -0.07 0.08 -0.54 0.00 0.00 175.26 175.27 2pnq s VAL 330 N 1.15 3.64 0.03 3.70 1.01 -1.26 -0.80 120.40 127.86 2pnq s VAL 330 Ca 0.06 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.64 2pnq s VAL 330 Cb -0.14 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 2pnq s VAL 330 CO 0.05 0.56 -0.21 0.42 0.00 0.00 0.00 175.10 175.91 2pnq s THR 331 N -0.30 1.70 -0.01 3.92 -4.23 -0.72 -4.99 115.64 111.01 2pnq s THR 331 Ca 0.04 -1.12 0.03 0.00 -1.18 0.00 0.00 61.69 59.46 2pnq s THR 331 Cb -0.13 -1.45 -0.03 0.00 1.34 0.00 0.00 72.50 72.23 2pnq s THR 331 CO 0.02 0.30 -0.07 -0.47 -0.54 0.00 0.00 174.62 173.86 2pnq s TYR 332 N -0.71 2.90 -0.09 3.99 5.04 -1.26 -1.72 117.35 125.49 2pnq s TYR 332 Ca 0.08 -0.03 -0.05 0.00 -2.44 0.00 0.00 57.07 54.64 2pnq s TYR 332 Cb -0.09 -1.63 0.04 0.00 0.35 0.00 0.00 41.96 40.64 2pnq s TYR 332 CO 0.01 0.36 0.21 -1.58 -1.34 0.00 0.00 175.55 173.22 2pnq s HIS 333 N -0.95 -0.28 -0.33 4.97 5.65 0.78 -5.01 115.29 120.12 2pnq s HIS 333 Ca 0.16 0.69 -0.17 0.00 0.25 0.00 0.00 55.06 55.99 2pnq s HIS 333 Cb -0.11 0.01 -0.01 0.00 -1.18 0.00 0.00 32.58 31.28 2pnq s HIS 333 CO 0.06 -0.21 0.46 0.50 -0.65 0.00 0.00 174.74 174.90 2pnq s ARG 334 N 1.21 3.71 0.34 2.88 3.52 -1.26 -0.28 118.95 129.07 2pnq s ARG 334 Ca -0.09 -0.15 -0.28 0.00 -0.13 0.00 0.00 55.73 55.08 2pnq s ARG 334 Cb -0.11 -3.77 -0.10 0.00 -1.56 0.00 0.00 34.95 29.41 2pnq s ARG 334 CO -0.08 -0.53 1.31 -0.51 -0.81 0.00 0.00 175.30 174.68 2pnq s LEU 335 N 2.25 4.40 0.13 -0.88 1.43 0.11 -5.00 118.68 121.11 2pnq s LEU 335 Ca 0.17 2.68 0.05 0.00 -1.03 0.00 0.00 54.13 56.00 2pnq s LEU 335 Cb -0.16 -3.68 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 2pnq s LEU 335 CO 0.12 -0.57 -0.12 -0.13 0.23 0.00 0.00 176.35 175.87 2pnq s ARG 336 N -1.86 1.01 0.43 1.70 1.81 -1.26 -4.92 118.95 115.86 2pnq s ARG 336 Ca 0.50 -1.29 0.32 0.00 -1.72 0.00 0.00 55.73 53.54 2pnq s ARG 336 Cb -0.39 -0.77 1.45 0.00 -0.45 0.00 0.00 34.95 34.79 2pnq s ARG 336 CO 0.52 0.13 1.52 -2.30 -0.68 0.00 0.00 175.30 174.50 2pnq n PRO 337 N 0.33 -0.04 0.27 3.54 -0.02 -1.26 -0.26 135.00 137.55 2pnq n PRO 337 Ca -0.14 1.22 0.17 0.00 -2.02 0.00 0.00 63.50 62.73 2pnq n PRO 337 Cb 0.58 -2.41 0.62 0.00 -0.02 0.00 0.00 33.50 32.27 2pnq n PRO 337 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 2pnq h GLN 338 N 0.00 0.00 -5.92 -0.52 3.07 -1.95 -3.42 115.11 106.37 2pnq h GLN 338 Ca 0.86 0.00 -0.62 0.00 0.09 0.00 0.00 58.65 58.98 2pnq h GLN 338 Cb 2.77 0.00 -0.12 0.00 0.08 0.00 0.00 27.48 30.21 2pnq h GLN 338 CO -0.46 0.00 0.45 -0.51 0.09 0.00 0.00 178.83 178.40 2pnq s ASP 339 N -5.77 6.44 -0.12 0.06 1.01 0.63 -1.50 116.67 117.42 2pnq s ASP 339 Ca 0.02 -0.04 0.05 0.00 0.71 0.00 0.00 52.55 53.28 2pnq s ASP 339 Cb 0.08 -2.41 -0.24 0.00 1.01 0.00 0.00 42.92 41.37 2pnq s ASP 339 CO 0.56 -0.98 0.36 0.29 0.21 0.00 0.00 175.17 175.61 2pnq n LYS 340 N 6.91 0.69 -3.70 8.23 4.76 -0.06 -4.73 118.16 130.26 2pnq n LYS 340 Ca 0.04 0.22 -0.09 0.00 -2.87 0.00 0.00 58.31 55.61 2pnq n LYS 340 Cb 0.48 -1.69 -0.02 0.00 -1.84 0.00 0.00 35.03 31.96 2pnq n LYS 340 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 2pnq s PHE 341 N -2.56 -0.27 -0.06 2.13 -0.12 -1.16 -0.78 117.98 115.16 2pnq s PHE 341 Ca -0.16 -0.08 0.04 0.00 -0.05 0.00 0.00 56.93 56.68 2pnq s PHE 341 Cb 0.07 0.58 0.00 0.00 -0.63 0.00 0.00 43.02 43.05 2pnq s PHE 341 CO 0.78 -1.04 -0.16 -1.17 -0.05 0.00 0.00 175.22 173.57 2pnq s LEU 342 N -2.86 1.85 -0.17 -1.99 2.96 0.11 0.74 118.68 119.32 2pnq s LEU 342 Ca 0.08 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 2pnq s LEU 342 Cb -0.03 -0.98 0.02 0.00 0.50 0.00 0.00 46.19 45.69 2pnq s LEU 342 CO -0.01 0.11 -0.20 0.54 -1.32 0.00 0.00 176.35 175.46 2pnq s VAL 343 N 0.29 2.05 -0.17 1.68 0.11 -0.19 0.60 120.40 124.77 2pnq s VAL 343 Ca -0.10 -0.94 -0.07 0.00 -2.93 0.00 0.00 61.98 57.94 2pnq s VAL 343 Cb -0.14 -1.84 -0.04 0.00 -1.53 0.00 0.00 36.38 32.83 2pnq s VAL 343 CO 0.04 0.54 0.08 -0.76 -3.33 0.00 0.00 175.10 171.66 2pnq s LEU 344 N 1.16 3.92 0.08 2.54 1.43 0.41 -1.76 118.68 126.46 2pnq s LEU 344 Ca 0.02 0.16 -0.23 0.00 -1.03 0.00 0.00 54.13 53.05 2pnq s LEU 344 Cb -0.14 -1.98 0.06 0.00 0.03 0.00 0.00 46.19 44.16 2pnq s LEU 344 CO -0.10 0.22 0.55 0.00 0.23 0.00 0.00 176.35 177.26 2pnq s ALA 345 N 0.07 -1.42 0.73 4.21 0.00 -0.79 -0.37 121.76 124.19 2pnq s ALA 345 Ca 0.06 0.57 -0.08 0.00 0.00 0.00 0.00 51.96 52.50 2pnq s ALA 345 Cb -0.12 0.55 0.06 0.00 0.00 0.00 0.00 23.12 23.61 2pnq s ALA 345 CO 0.00 -0.60 1.06 0.95 0.00 0.00 0.00 175.76 177.18 2pnq s THR 346 N -2.91 2.31 -1.29 0.00 -4.23 -0.95 -1.15 115.64 107.41 2pnq s THR 346 Ca -0.03 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 2pnq s THR 346 Cb -0.00 -3.04 0.00 0.00 1.34 0.00 0.00 72.50 70.79 2pnq s THR 346 CO -0.05 -0.05 0.85 -0.90 -0.54 0.00 0.00 174.62 173.93 2pnq n ASP 347 N -3.03 0.00 0.14 3.99 5.75 -1.26 -1.13 116.55 121.01 2pnq n ASP 347 Ca 0.08 0.35 0.06 0.00 -0.01 0.00 0.00 54.79 55.27 2pnq n ASP 347 Cb 0.60 -0.35 0.53 0.00 -1.03 0.00 0.00 41.12 40.88 2pnq n ASP 347 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2pnq h GLY 348 N 0.00 0.27 0.00 6.12 0.00 -1.90 -2.40 103.07 105.16 2pnq h GLY 348 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 2pnq h GLY 348 CO 0.00 0.10 -0.21 -2.00 0.00 0.00 0.00 176.54 174.43 2pnq h LEU 349 N 0.26 0.00 -1.07 3.11 5.85 -1.39 -3.38 115.31 118.68 2pnq h LEU 349 Ca 0.07 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2pnq h LEU 349 Cb -0.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.02 2pnq h LEU 349 CO -0.01 0.66 0.00 0.79 -0.34 0.00 0.00 178.44 179.54 2pnq n TRP 350 N -4.70 0.56 0.89 1.25 7.02 -1.21 -1.07 117.44 120.17 2pnq n TRP 350 Ca -0.04 0.29 0.13 0.00 -1.02 0.00 0.00 57.50 56.86 2pnq n TRP 350 Cb 0.15 -0.96 0.43 0.00 -2.42 0.00 0.00 31.31 28.51 2pnq n TRP 350 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 2pnq n GLU 351 N -2.07 0.08 -0.05 -0.99 -0.58 -0.91 -3.94 120.64 112.19 2pnq n GLU 351 Ca -0.01 0.05 -0.01 0.00 -0.42 0.00 0.00 57.16 56.77 2pnq n GLU 351 Cb 0.03 -1.57 -0.12 0.00 -0.57 0.00 0.00 31.44 29.21 2pnq n GLU 351 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2pnq n THR 352 N -1.70 0.59 -4.07 2.62 -2.24 -0.23 -5.04 114.28 104.22 2pnq n THR 352 Ca 0.06 -0.51 -0.11 0.00 -2.27 0.00 0.00 64.05 61.22 2pnq n THR 352 Cb 0.37 -0.31 -0.11 0.00 -2.10 0.00 0.00 70.33 68.18 2pnq n THR 352 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2pnq s MET 353 N -2.65 0.54 0.59 -0.78 -1.94 -1.17 -5.02 119.30 108.86 2pnq s MET 353 Ca -0.07 -0.89 -0.17 0.00 -1.71 0.00 0.00 55.69 52.85 2pnq s MET 353 Cb 0.07 -0.10 -0.04 0.00 2.01 0.00 0.00 34.83 36.77 2pnq s MET 353 CO 0.62 -0.01 1.10 -1.58 -0.01 0.00 0.00 175.02 175.14 2pnq s HIS 354 N -2.18 2.75 0.30 -0.03 2.46 -1.26 -4.69 115.29 112.65 2pnq s HIS 354 Ca -0.05 1.54 0.03 0.00 0.47 0.00 0.00 55.06 57.05 2pnq s HIS 354 Cb -0.05 -3.17 0.61 0.00 -0.13 0.00 0.00 32.58 29.84 2pnq s HIS 354 CO -0.02 -1.44 1.87 0.00 -2.47 0.00 0.00 174.74 172.67 2pnq h ARG 355 N 0.70 0.91 0.00 2.88 3.08 -2.00 -2.34 114.38 117.61 2pnq h ARG 355 Ca -0.48 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.35 2pnq h ARG 355 Cb 1.24 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 31.07 2pnq h ARG 355 CO 0.56 0.60 -0.76 0.37 -1.07 0.00 0.00 179.97 179.67 2pnq h GLN 356 N 0.94 0.00 -0.70 0.04 4.15 -1.95 -3.08 115.11 114.50 2pnq h GLN 356 Ca 0.45 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.83 2pnq h GLN 356 Cb 0.46 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.12 2pnq h GLN 356 CO -0.22 0.76 0.25 -0.44 -1.93 0.00 0.00 178.83 177.25 2pnq h ASP 357 N 0.00 1.00 -0.12 -0.69 3.32 -1.80 0.21 116.42 118.34 2pnq h ASP 357 Ca -0.01 -0.19 0.04 0.00 0.02 0.00 0.00 57.03 56.89 2pnq h ASP 357 Cb 1.46 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 40.70 2pnq h ASP 357 CO 0.10 0.92 -0.21 0.58 -1.72 0.00 0.00 179.24 178.91 2pnq h VAL 358 N 1.02 0.47 -0.73 -1.35 2.07 -1.46 0.60 116.25 116.87 2pnq h VAL 358 Ca 0.23 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.71 2pnq h VAL 358 Cb 0.26 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 2pnq h VAL 358 CO -0.01 0.00 0.30 0.58 0.02 0.00 0.00 177.57 178.46 2pnq h VAL 359 N -0.28 1.25 0.00 2.57 2.07 -1.41 0.11 116.25 120.56 2pnq h VAL 359 Ca 0.10 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 2pnq h VAL 359 Cb 0.42 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2pnq h VAL 359 CO -0.28 0.32 -0.00 -0.09 0.02 0.00 0.00 177.57 177.54 2pnq h ARG 360 N 1.05 -0.00 -0.16 1.57 2.43 0.03 0.21 114.38 119.51 2pnq h ARG 360 Ca 0.25 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 2pnq h ARG 360 Cb 0.20 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2pnq h ARG 360 CO -0.02 0.08 0.08 0.82 -1.51 0.00 0.00 179.97 179.42 2pnq h ILE 361 N -0.08 1.11 -0.12 1.20 2.04 0.49 -0.87 117.51 121.28 2pnq h ILE 361 Ca -0.00 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 2pnq h ILE 361 Cb 0.08 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2pnq h ILE 361 CO 0.00 0.10 0.04 0.58 0.00 0.00 0.00 178.15 178.87 2pnq h VAL 362 N 0.14 1.17 -0.49 1.67 2.07 -0.73 -2.20 116.25 117.89 2pnq h VAL 362 Ca 0.05 -0.52 0.10 0.00 0.82 0.00 0.00 66.70 67.15 2pnq h VAL 362 Cb 0.09 1.30 -0.09 0.00 -1.52 0.00 0.00 31.29 31.07 2pnq h VAL 362 CO -0.01 0.15 -0.06 1.23 0.02 0.00 0.00 177.57 178.91 2pnq h GLY 363 N 0.01 0.43 1.15 2.17 0.00 -0.41 -0.91 103.07 105.51 2pnq h GLY 363 Ca 0.04 0.11 -0.11 0.00 0.00 0.00 0.00 47.33 47.37 2pnq h GLY 363 CO -0.00 -0.16 -0.11 0.83 0.00 0.00 0.00 176.54 177.10 2pnq h GLU 364 N 0.05 0.99 0.13 4.80 5.08 -1.13 0.31 114.58 124.82 2pnq h GLU 364 Ca 0.24 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2pnq h GLU 364 Cb 0.37 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2pnq h GLU 364 CO -0.45 1.04 -0.13 -0.92 -1.00 0.00 0.00 179.01 177.55 2pnq h TYR 365 N 0.88 -0.33 -0.35 4.33 3.20 -0.67 0.48 116.97 124.52 2pnq h TYR 365 Ca 0.14 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 2pnq h TYR 365 Cb 0.67 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.04 2pnq h TYR 365 CO 0.04 -0.19 0.01 -0.07 -1.64 0.00 0.00 178.16 176.31 2pnq h LEU 366 N -0.28 0.51 0.00 2.82 3.38 -1.14 -0.32 115.31 120.28 2pnq h LEU 366 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2pnq h LEU 366 Cb 0.27 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2pnq h LEU 366 CO -0.03 0.57 0.00 1.07 0.09 0.00 0.00 178.44 180.14 2pnq n THR 367 N -4.28 0.02 -1.70 0.22 5.66 0.09 -4.91 114.28 109.38 2pnq n THR 367 Ca 0.02 0.01 -0.15 0.00 -3.05 0.00 0.00 64.05 60.87 2pnq n THR 367 Cb 0.24 -0.52 -0.05 0.00 -1.55 0.00 0.00 70.33 68.45 2pnq n THR 367 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2pnq n GLY 368 N 1.09 0.95 1.01 1.09 0.00 0.14 -4.89 105.19 104.57 2pnq n GLY 368 Ca 0.18 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.97 2pnq n GLY 368 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2pnq n MET 369 N -2.52 3.20 0.00 1.61 2.81 0.67 -4.55 117.12 118.34 2pnq n MET 369 Ca -0.16 -2.76 0.07 0.00 -1.81 0.00 0.00 57.70 53.04 2pnq n MET 369 Cb 0.53 -1.81 0.39 0.00 -0.71 0.00 0.00 33.22 31.62 2pnq n MET 369 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 2pnq n HIS 370 N -0.12 0.00 -3.66 2.03 1.44 -1.20 -3.30 115.22 110.41 2pnq n HIS 370 Ca 0.21 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.64 2pnq n HIS 370 Cb 0.86 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.86 2pnq n HIS 370 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2pnq n HIS 371 N -0.90 1.42 -3.45 -1.40 8.25 -1.26 -5.04 115.22 112.84 2pnq n HIS 371 Ca 0.10 -3.87 -0.05 0.00 -0.26 0.00 0.00 57.72 53.64 2pnq n HIS 371 Cb 0.04 -0.24 -0.06 0.00 1.12 0.00 0.00 29.99 30.85 2pnq n HIS 371 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2pnq s GLN 372 N -0.85 0.42 0.00 -0.41 2.00 -1.21 -5.18 119.66 114.43 2pnq s GLN 372 Ca 0.29 0.92 0.00 0.00 -2.00 0.00 0.00 55.36 54.57 2pnq s GLN 372 Cb 0.00 0.18 0.00 0.00 0.80 0.00 0.00 33.01 34.00 2pnq s GLN 372 CO -0.18 -0.45 0.00 0.94 -0.50 0.00 0.00 175.29 175.10 2pnq n GLN 373 N 5.40 0.00 -0.04 1.67 7.27 -1.26 -5.16 117.38 125.26 2pnq n GLN 373 Ca -0.06 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 56.97 2pnq n GLN 373 Cb 0.50 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.14 2pnq n GLN 373 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2pnq n GLN 405 N 0.00 0.23 -5.22 3.69 3.00 -1.26 -5.32 117.38 112.50 2pnq n GLN 405 Ca 0.00 0.09 -0.32 0.00 -0.01 0.00 0.00 57.00 56.76 2pnq n GLN 405 Cb 0.00 -0.89 -0.17 0.00 0.00 0.00 0.00 30.24 29.19 2pnq n GLN 405 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 2pnq s ASN 406 N -4.91 3.05 0.22 1.08 3.84 -1.26 -5.05 114.94 111.91 2pnq s ASN 406 Ca -0.13 -0.53 -0.09 0.00 0.21 0.00 0.00 52.86 52.32 2pnq s ASN 406 Cb 0.02 -1.18 0.18 0.00 -0.55 0.00 0.00 41.25 39.72 2pnq s ASN 406 CO 0.19 0.19 1.85 0.00 -2.79 0.00 0.00 177.10 176.53 2pnq h ALA 407 N 6.47 1.05 -0.40 1.71 0.00 -1.94 -0.57 119.26 125.58 2pnq h ALA 407 Ca -0.24 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 2pnq h ALA 407 Cb 1.21 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2pnq h ALA 407 CO 0.47 0.54 0.10 0.00 0.00 0.00 0.00 179.25 180.36 2pnq h ALA 408 N 1.25 0.52 -0.64 0.00 0.00 -1.91 -2.08 119.26 116.41 2pnq h ALA 408 Ca 0.29 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2pnq h ALA 408 Cb -0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2pnq h ALA 408 CO -0.05 0.19 0.39 1.15 0.00 0.00 0.00 179.25 180.94 2pnq h THR 409 N 0.50 1.18 -0.15 0.00 2.02 -1.81 -1.68 112.91 112.97 2pnq h THR 409 Ca 0.13 -0.38 0.02 0.00 0.77 0.00 0.00 66.41 66.95 2pnq h THR 409 Cb 0.30 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 2pnq h THR 409 CO 0.00 0.18 0.01 -0.74 0.37 0.00 0.00 175.52 175.34 2pnq h HIS 410 N 0.86 0.01 -0.32 3.16 6.17 -0.89 -0.50 115.15 123.65 2pnq h HIS 410 Ca 0.23 0.01 -0.02 0.00 0.71 0.00 0.00 60.37 61.31 2pnq h HIS 410 Cb -0.04 0.02 -0.01 0.00 2.52 0.00 0.00 27.41 29.89 2pnq h HIS 410 CO -0.02 -0.01 0.14 1.25 0.71 0.00 0.00 177.93 180.00 2pnq h LEU 411 N 0.07 0.43 -1.62 0.26 5.85 -1.21 -2.32 115.31 116.77 2pnq h LEU 411 Ca 0.07 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 2pnq h LEU 411 Cb 0.08 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2pnq h LEU 411 CO -0.11 0.46 -0.18 -0.29 -0.34 0.00 0.00 178.44 177.98 2pnq h ILE 412 N 0.37 1.14 0.00 4.05 6.09 -1.11 0.16 117.51 128.21 2pnq h ILE 412 Ca 0.11 -0.64 -0.04 0.00 -1.37 0.00 0.00 64.86 62.91 2pnq h ILE 412 Cb 0.15 1.33 -0.01 0.00 0.47 0.00 0.00 36.82 38.77 2pnq h ILE 412 CO -0.01 0.18 -0.20 0.03 -3.07 0.00 0.00 178.15 175.09 2pnq h ARG 413 N 0.01 0.00 0.22 2.19 3.08 -0.54 -1.53 114.38 117.81 2pnq h ARG 413 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 2pnq h ARG 413 Cb 0.33 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.41 2pnq h ARG 413 CO 0.02 0.20 -1.42 0.45 -1.07 0.00 0.00 179.97 178.15 2pnq h HIS 414 N 0.00 0.83 -0.52 3.04 3.86 -0.48 -0.55 115.15 121.34 2pnq h HIS 414 Ca -0.00 -0.61 -0.04 0.00 -1.16 0.00 0.00 60.37 58.56 2pnq h HIS 414 Cb 0.39 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.80 2pnq h HIS 414 CO 0.00 1.48 0.17 0.00 0.86 0.00 0.00 177.93 180.44 2pnq h ALA 415 N 0.29 1.33 0.00 2.45 0.00 -0.67 -3.32 119.26 119.33 2pnq h ALA 415 Ca -0.22 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 2pnq h ALA 415 Cb 2.11 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 2pnq h ALA 415 CO 0.25 0.49 -0.55 0.28 0.00 0.00 0.00 179.25 179.72 2pnq h VAL 416 N 0.75 0.12 0.00 0.00 2.07 -1.36 -3.47 116.25 114.35 2pnq h VAL 416 Ca 0.17 -1.14 -0.63 0.00 0.82 0.00 0.00 66.70 65.92 2pnq h VAL 416 Cb 0.21 0.28 0.03 0.00 -1.52 0.00 0.00 31.29 30.28 2pnq h VAL 416 CO -0.01 0.04 3.65 0.61 0.02 0.00 0.00 177.57 181.88 2pnq n GLY 417 N 1.61 4.09 3.62 2.17 0.00 -0.21 -5.10 105.19 111.37 2pnq n GLY 417 Ca -0.09 -1.41 -0.03 0.00 0.00 0.00 0.00 46.02 44.48 2pnq n GLY 417 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2pnq s TYR 443 N 2.31 -0.07 -0.13 1.61 -0.85 -1.26 -4.56 117.35 114.40 2pnq s TYR 443 Ca 0.66 0.05 0.18 0.00 -0.52 0.00 0.00 57.07 57.45 2pnq s TYR 443 Cb 0.17 0.51 0.29 0.00 0.38 0.00 0.00 41.96 43.31 2pnq s TYR 443 CO -0.06 -0.11 1.15 0.54 -1.52 0.00 0.00 175.55 175.56 2pnq n ARG 444 N 0.01 1.26 -3.48 -3.49 1.74 -1.26 -5.04 116.66 106.40 2pnq n ARG 444 Ca 0.03 -2.57 -0.12 0.00 -0.77 0.00 0.00 57.85 54.41 2pnq n ARG 444 Cb 0.57 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.50 2pnq n ARG 444 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2pnq s ASP 445 N -2.85 -0.51 0.48 0.55 2.15 -1.26 -5.08 116.67 110.15 2pnq s ASP 445 Ca 0.32 0.21 -0.23 0.00 0.43 0.00 0.00 52.55 53.28 2pnq s ASP 445 Cb 0.28 0.49 -0.08 0.00 -0.30 0.00 0.00 42.92 43.31 2pnq s ASP 445 CO 0.03 -0.71 1.14 0.47 -0.17 0.00 0.00 175.17 175.92 2pnq n ASP 446 N 0.09 1.79 -3.89 -0.34 8.00 -1.26 -4.56 116.55 116.38 2pnq n ASP 446 Ca -0.14 1.00 -0.28 0.00 0.71 0.00 0.00 54.79 56.08 2pnq n ASP 446 Cb 0.61 -1.44 -0.16 0.00 -0.02 0.00 0.00 41.12 40.11 2pnq n ASP 446 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pnq s ILE 447 N -1.30 1.08 -0.03 0.53 1.01 -0.42 -3.81 121.20 118.26 2pnq s ILE 447 Ca 0.66 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.76 2pnq s ILE 447 Cb -0.49 -1.25 -0.00 0.00 0.01 0.00 0.00 42.46 40.73 2pnq s ILE 447 CO 0.54 0.14 -0.13 0.42 0.00 0.00 0.00 174.94 175.91 2pnq s THR 448 N 1.65 1.11 0.00 2.92 -4.23 -1.26 -0.41 115.64 115.42 2pnq s THR 448 Ca 0.01 -0.55 0.01 0.00 -1.18 0.00 0.00 61.69 59.97 2pnq s THR 448 Cb -0.15 -0.95 -0.00 0.00 1.34 0.00 0.00 72.50 72.73 2pnq s THR 448 CO -0.08 0.33 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.68 2pnq s ILE 449 N -0.00 0.16 -0.11 2.99 1.01 -0.81 -2.24 121.20 122.20 2pnq s ILE 449 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.43 2pnq s ILE 449 Cb -0.09 -0.16 0.02 0.00 0.01 0.00 0.00 42.46 42.24 2pnq s ILE 449 CO 0.01 -0.04 -0.11 -0.63 0.00 0.00 0.00 174.94 174.17 2pnq s ILE 450 N -0.25 1.22 -0.29 2.92 1.01 0.50 -1.94 121.20 124.37 2pnq s ILE 450 Ca -0.02 -0.44 -0.05 0.00 0.00 0.00 0.00 60.65 60.14 2pnq s ILE 450 Cb -0.02 -1.18 0.02 0.00 0.01 0.00 0.00 42.46 41.29 2pnq s ILE 450 CO -0.00 0.39 0.05 -0.69 0.00 0.00 0.00 174.94 174.69 2pnq s VAL 451 N 1.40 3.66 -0.21 2.92 1.01 0.43 -0.44 120.40 129.16 2pnq s VAL 451 Ca 0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 2pnq s VAL 451 Cb -0.13 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 2pnq s VAL 451 CO -0.06 0.05 0.13 -0.69 0.00 0.00 0.00 175.10 174.53 2pnq s VAL 452 N 1.43 5.25 -0.18 2.92 1.01 0.20 -1.15 120.40 129.88 2pnq s VAL 452 Ca 0.01 0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.07 2pnq s VAL 452 Cb -0.18 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2pnq s VAL 452 CO 0.01 0.40 0.02 -1.58 0.00 0.00 0.00 175.10 173.95 2pnq s GLN 453 N 0.68 3.78 0.35 2.72 0.74 -0.11 0.07 119.66 127.90 2pnq s GLN 453 Ca 0.07 -0.45 -0.05 0.00 0.05 0.00 0.00 55.36 54.98 2pnq s GLN 453 Cb -0.12 -3.10 -0.05 0.00 1.10 0.00 0.00 33.01 30.84 2pnq s GLN 453 CO 0.01 0.17 0.63 -0.06 -0.55 0.00 0.00 175.29 175.50 2pnq s PHE 454 N 0.60 3.49 -0.74 1.67 0.40 0.04 0.10 117.98 123.55 2pnq s PHE 454 Ca 0.01 0.71 -0.18 0.00 -0.60 0.00 0.00 56.93 56.87 2pnq s PHE 454 Cb -0.14 -2.18 0.14 0.00 0.51 0.00 0.00 43.02 41.35 2pnq s PHE 454 CO 0.02 0.04 0.83 1.21 0.70 0.00 0.00 175.22 178.02 2pnq s ASN 455 N -3.42 6.44 0.56 1.36 3.84 -0.30 -4.48 114.94 118.93 2pnq s ASN 455 Ca 0.45 -1.89 0.23 0.00 0.21 0.00 0.00 52.86 51.87 2pnq s ASN 455 Cb -0.10 -2.31 1.55 0.00 -0.55 0.00 0.00 41.25 39.84 2pnq s ASN 455 CO 0.33 -0.98 2.20 0.28 -2.79 0.00 0.00 177.10 176.14 2pnq h SER 456 N 8.76 0.00 -0.17 -4.21 0.02 -1.87 0.15 113.55 116.24 2pnq h SER 456 Ca -0.08 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.77 2pnq h SER 456 Cb 1.06 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 2pnq h SER 456 CO 1.02 0.00 -0.28 0.45 -1.14 0.00 0.00 176.83 176.88 2pnq h HIS 457 N 0.00 0.61 -0.02 3.45 3.86 -1.94 0.08 115.15 121.19 2pnq h HIS 457 Ca 0.01 -0.21 -0.00 0.00 -1.16 0.00 0.00 60.37 59.00 2pnq h HIS 457 Cb 0.04 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.39 2pnq h HIS 457 CO 0.00 0.91 -0.01 0.28 0.86 0.00 0.00 177.93 179.98 2pnq h VAL 458 N 0.14 1.29 -0.99 2.45 2.07 -1.65 0.23 116.25 119.78 2pnq h VAL 458 Ca 0.01 -0.88 0.12 0.00 0.82 0.00 0.00 66.70 66.78 2pnq h VAL 458 Cb 0.86 1.85 -0.09 0.00 -1.52 0.00 0.00 31.29 32.39 2pnq h VAL 458 CO 0.06 0.23 0.62 0.58 0.02 0.00 0.00 177.57 179.09 2pnq h VAL 459 N -0.31 0.90 -0.59 2.57 2.07 -0.80 0.26 116.25 120.35 2pnq h VAL 459 Ca 0.01 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 2pnq h VAL 459 Cb 0.38 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 2pnq h VAL 459 CO 0.00 0.18 0.05 1.23 0.02 0.00 0.00 177.57 179.05 2pnq h GLY 460 N 0.97 1.09 0.61 2.17 0.00 -0.78 -2.04 103.07 105.10 2pnq h GLY 460 Ca 0.50 -0.77 0.05 0.00 0.00 0.00 0.00 47.33 47.11 2pnq h GLY 460 CO -0.27 0.71 0.07 0.00 0.00 0.00 0.00 176.54 177.04 2pnq h ALA 461 N 1.00 0.35 -0.89 3.60 0.00 0.27 -0.27 119.26 123.31 2pnq h ALA 461 Ca 0.17 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.20 2pnq h ALA 461 Cb 0.49 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 2pnq h ALA 461 CO 0.02 -0.34 0.57 1.88 0.00 0.00 0.00 179.25 181.38 2pnq h TYR 462 N 0.18 1.06 -0.62 0.00 -1.99 -0.63 -2.07 116.97 112.90 2pnq h TYR 462 Ca 0.16 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.85 2pnq h TYR 462 Cb 0.17 -0.35 -0.03 0.00 2.00 0.00 0.00 36.73 38.53 2pnq h TYR 462 CO -0.18 0.57 0.14 0.37 -0.00 0.00 0.00 178.16 179.06 2pnq h GLN 463 N 1.07 1.01 0.00 4.88 4.15 -0.61 -2.32 115.11 123.28 2pnq h GLN 463 Ca 0.38 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.54 2pnq h GLN 463 Cb 0.10 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.66 2pnq h GLN 463 CO -0.15 0.93 0.00 -0.91 -1.93 0.00 0.00 178.83 176.77 2pnq h ASN 464 N 0.92 0.00 -1.01 -0.69 2.35 -0.36 -2.11 115.58 114.68 2pnq h ASN 464 Ca 0.19 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.33 2pnq h ASN 464 Cb 0.38 0.00 -0.38 0.00 0.05 0.00 0.00 38.32 38.37 2pnq h ASN 464 CO 0.01 0.00 -0.18 0.00 -1.65 0.00 0.00 177.43 175.60 2pnq n GLN 465 N -2.61 3.26 0.06 0.81 6.02 -0.88 -4.24 117.38 119.81 2pnq n GLN 465 Ca -0.00 -3.91 0.00 0.00 -0.01 0.00 0.00 57.00 53.07 2pnq n GLN 465 Cb 0.15 -2.28 0.00 0.00 1.02 0.00 0.00 30.24 29.13 2pnq n GLN 465 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2pnq n GLU 466 N -0.73 0.00 0.00 -1.09 1.02 -0.84 -5.02 120.64 113.98 2pnq n GLU 466 Ca 0.50 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.78 2pnq n GLU 466 Cb 0.79 -0.14 0.61 0.00 -0.02 0.00 0.00 31.44 32.68 2pnq n GLU 466 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25